Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.35 |
| ▸ | CASP6 | P55212 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.34 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.34 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10025973 | 0.77 | EPHX2 (0.40) | CYP1A2TDP1EPHX2EPHX1 | |
| SCHEMBL84643 | 0.77 | BLM (0.42) | TDP1KMT2AMEN1EPHX2EPHX1 | |
| SCHEMBL860793 | 0.76 | CYP1A2 (0.77) | CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD | |
| SCHEMBL37407 | 0.76 | — | — | |
| SCHEMBL14407779 | 0.76 | CYP1A2 (0.77) | CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD | |
| SCHEMBL10025950 | 0.73 | TSHR (0.53) | TDP1SMN1; SMN2KDM4EKMT2AMEN1 | |
| SCHEMBL85153 | 0.73 | L3MBTL1 (0.46) | TDP1SMN1; SMN2KDM4EKMT2AMEN1 | |
| SCHEMBL10189870 | 0.72 | USP2 (0.55) | SMN1; SMN2KDM4EKMT2AMEN1EPHX2 | |
| SCHEMBL3948604 | 0.71 | — | — | |
| SCHEMBL23106 | 0.71 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130065882-A1 | VLA-4 inhibitory drug | MACHINAGA NOBUO (JP) | 2013-03-14 | — | — | US | disclosed |
| US-20120157437-A1 | VLA-4 INHIBITORY DRUG | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-06-21 | — | — | US | disclosed |
| US-20120077794-A1 | BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS | GLAXSMITHKLINE LLC (US) | 2012-03-29 | — | — | US | disclosed |
| US-8129366-B2 | VLA-4 inhibitory drug | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-03-06 | — | — | US | disclosed |
| US-20120029192-A1 | Pyrazole Derivatives | PFIZER INC | 2012-02-02 | — | — | US | disclosed |
| US-8093400-B2 | Compounds useful in therapy | PFIZER INC. (US) | 2012-01-10 | — | — | US | disclosed |
| US-8067590-B2 | Melanin-concentrating hormone (MCH) receptor antagonists; treating obesity, eating disorders, affective disorders, drug dependency; compounds are amino-functional pyridazin-3-one, 1H-pyridin-2-one or 3H-pyrimidin-4-one | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-11-29 | — | — | US | disclosed |
| US-8063044-B2 | Pyrazole derivatives | PFIZER INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-20100317652-A1 | Compounds Useful In Therapy | PFIZER INC | 2010-12-16 | — | — | US | disclosed |
| US-7745630-B2 | Triazolyl piperidine arginine vasopressin receptor modulators | BRYANS JUSTIN STEPHEN | 2010-06-29 | — | — | US | disclosed |
| US-20100121048-A1 | Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-05-13 | — | — | US | disclosed |
| US-20090233901-A1 | VLA-4 INHIBITORY DRUG | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2009-09-17 | — | — | US | disclosed |
| US-20090215712-A1 | PYRAZOLE DERIVATIVES | PFIZER INC | 2009-08-27 | — | — | US | disclosed |
| US-20090069282-A1 | ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2009-03-12 | — | — | US | disclosed |
| US-7452911-B2 | Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2008-11-18 | — | — | US | disclosed |
| US-20080255083-A1 | NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-10-16 | — | — | US | disclosed |
| US-7435728-B2 | Pyrazole derivatives | PFIZER INC (US) | 2008-10-14 | — | — | US | disclosed |
| US-20080085884-A1 | Melanin Concentrating Hormone Receptor-1 Antagonist Pyridinones | PFIZER INC | 2008-04-10 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090215712-A1 | PYRAZOLE DERIVATIVES | RRM2B, REV1, RRM2 | CYP1A2 348/4885TDP1 75/4885SMN1; SMN2 3225/4885 |
| US-20100121048-A1 | Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension | REN, AGTR1, AGTR2 | CYP1A2 588/4885TDP1 4589/4885SMN1; SMN2 4730/4885 |
| US-20120157437-A1 | VLA-4 INHIBITORY DRUG | VCAM1, ITGB4, ITGA4 | CYP1A2 500/4885TDP1 4881/4885SMN1; SMN2 4739/4885 |
| US-20130065882-A1 | VLA-4 inhibitory drug | VCAM1, ITGB4, ITGA4 | CYP1A2 538/4885TDP1 4883/4885SMN1; SMN2 4702/4885 |
| US-20080085884-A1 | Melanin Concentrating Hormone Receptor-1 Antagonist Pyridinones | MCHR1, MCHR2, MC1R | CYP1A2 189/4885TDP1 1571/4885SMN1; SMN2 2618/4885 |
| US-20080255083-A1 | NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS | MCHR1, MCHR2, GPR119 | CYP1A2 1461/4885TDP1 3935/4885SMN1; SMN2 3075/4885 |
| US-20120077794-A1 | BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS | MCHR1, MCHR2, MC1R | CYP1A2 627/4885TDP1 3061/4885SMN1; SMN2 4041/4885 |
| US-20090069282-A1 | ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS | MCHR1, MCHR2, GPR119 | CYP1A2 1859/4885TDP1 4347/4885SMN1; SMN2 3224/4885 |
| US-20090233901-A1 | VLA-4 INHIBITORY DRUG | VCAM1, ITGB4, ITGA4 | CYP1A2 1039/4885TDP1 4867/4885SMN1; SMN2 4787/4885 |
| US-20120029192-A1 | Pyrazole Derivatives | POLRMT, PDCD11, DPYD | CYP1A2 307/4885TDP1 112/4885SMN1; SMN2 3432/4885 |
| US-20100317652-A1 | Compounds Useful In Therapy | AVPR1A, AVPR1B, AVPR2 | CYP1A2 507/4885TDP1 4263/4885SMN1; SMN2 4519/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.