Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 5/20 | 0.74 |
| ▸ | MEN1 | O00255 | 4/20 | 0.74 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.74 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.74 |
| ▸ | IDE | P14735 | 1/20 | 0.64 |
| ▸ | HTR2A | P28223 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | HTR1A | P08908 | 3/20 | 0.50 |
| ▸ | HTR2C | P28335 | 2/20 | 0.50 |
| ▸ | HTR6 | P50406 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | MPO | P05164 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL408332 | 0.99 | TBXAS1 (0.72) | TBXAS1MEN1KMT2ACYP19A1SMN1; SMN2 | |
| SCHEMBL9214699 | 0.85 | TBXAS1 (1.00) | TBXAS1MEN1KMT2ACYP19A1SMN1; SMN2 | |
| SCHEMBL29188240 | 0.83 | HTR2A (0.64) | MEN1KMT2ASMN1; SMN2HTR2AMAPT | |
| SCHEMBL734127 | 0.81 | MPO (0.57) | TBXAS1MEN1KMT2ACYP19A1SMN1; SMN2 | |
| SCHEMBL7851349 | 0.80 | IDE (0.90) | TBXAS1MEN1KMT2ACYP19A1SMN1; SMN2 | |
| SCHEMBL32669459 | 0.78 | HTR2A (0.60) | TBXAS1HTR2AMAPTHTR1AHTR2C | |
| SCHEMBL15179017 | 0.78 | CYP19A1 (0.64) | TBXAS1CYP19A1MAPTCYP3A4CYP1A2 | |
| SCHEMBL735447 | 0.77 | HTR2A (0.56) | TBXAS1MEN1KMT2ACYP19A1SMN1; SMN2 | |
| SCHEMBL734109 | 0.76 | HTR2A (0.59) | MEN1KMT2ASMN1; SMN2HTR2AMAPT | |
| SCHEMBL14110600 | 0.75 | HTR2A (0.55) | TBXAS1MEN1KMT2ACYP19A1SMN1; SMN2 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140155445-A1 | Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2014-06-05 | — | — | US | disclosed |
| US-20140155445-A1 | Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2014-06-05 | — | — | US | disclosed |
| CN-101516844-B | 4-heteroaryl substituted 1-aminocyclohexane-1-and cyclohexene-1-derivatives having activity on opioid receptor systems | GRUENENTHAL GMBH | 2013-12-11 | — | — | CN | disclosed |
| EP-2044016-B1 | 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM | GRUENENTHAL GMBH (DE) | 2012-12-05 | — | — | EP | disclosed |
| US-8138187-B2 | Substituted heteroaryl derivatives | GRUENENTHAL GMBH (DE) | 2012-03-20 | — | — | US | disclosed |
| US-20120020915-A1 | Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System | QUEENS UNIVERSITY AT KINGSTON (CA) | 2012-01-26 | — | — | US | disclosed |
| US-20120020915-A1 | Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System | QUEENS UNIVERSITY AT KINGSTON (CA) | 2012-01-26 | — | — | US | disclosed |
| US-20110319459-A1 | Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System | OSTA BIOTECHNOLOGIES (CA) | 2011-12-29 | — | — | US | disclosed |
| US-20110319459-A1 | Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System | OSTA BIOTECHNOLOGIES (CA) | 2011-12-29 | — | — | US | disclosed |
| US-20100009986-A1 | SUBSTITUTED HETEROARYL DERIVATIVES | GRUNENTHAL GMBH (DE) | 2010-01-14 | — | — | US | disclosed |
| CN-101516844-A | 4-heteroaryl substituted 1-aminocyclohexane-1-and cyclohexene-1-derivatives having activity on opioid receptor systems | GRUENENTHAL GMBH (DE) | 2009-08-26 | — | — | CN | disclosed |
| US-20090176831-A1 | Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System | OSTA BIOTECHNOLOGIES (CA) | 2009-07-09 | — | — | US | disclosed |
| US-20090176831-A1 | Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System | OSTA BIOTECHNOLOGIES (CA) | 2009-07-09 | — | — | 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 (5 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-20110319459-A1 | Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System | TXNRD2, HMOX1, HMOX2 | TBXAS1 469/4885MEN1 2236/4885KMT2A 4262/4885 |
| US-20140155445-A1 | Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System | HMOX1, HMOX2, CYC1 | TBXAS1 1071/4885MEN1 2143/4885KMT2A 3654/4885 |
| US-20100009986-A1 | SUBSTITUTED HETEROARYL DERIVATIVES | CYP3A43, HMGCR, ABCG2 | TBXAS1 374/4885MEN1 2253/4885KMT2A 2453/4885 |
| US-20120020915-A1 | Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System | HMOX1, HMOX2, CYC1 | TBXAS1 1071/4885MEN1 2143/4885KMT2A 3654/4885 |
| US-20090176831-A1 | Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System | HMOX1, HMOX2, CYC1 | TBXAS1 1257/4885MEN1 2421/4885KMT2A 3535/4885 |
“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.