Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP5 | P51878 | 1/20 | 0.41 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.39 |
| ▸ | HTR3A | P46098 | 3/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.38 |
| ▸ | HTR3B | O95264 | 2/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | HTR6 | P50406 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
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 SCHEMBL2111853 | 0.99 | SIGMAR1 (0.41) | SIGMAR1CASP1CASP5CXCR4HTR2C | |
| SCHEMBL10199939 | 0.96 | SIGMAR1 (0.46) | SIGMAR1CASP1CASP5HTR2CHTR2A | |
| Hydrochloric Acid SCHEMBL2111887 | 0.95 | SIGMAR1 (0.45) | SIGMAR1CASP1CASP5HTR2CHTR2A | |
| SCHEMBL10199941 | 0.77 | SIGMAR1 (0.42) | SIGMAR1CASP1CASP5HTR2CHTR2A | |
| Hydrochloric Acid SCHEMBL2111880 | 0.76 | SIGMAR1 (0.41) | SIGMAR1CASP1CASP5HTR2CHTR2A | |
| SCHEMBL2110468 | 0.76 | CASP1 (0.47) | SIGMAR1CASP1CASP5CXCR4HRH3 | |
| SCHEMBL2110977 | 0.76 | CYP1A2 (0.45) | SIGMAR1TMEM97ALDH1A1CYP1A2ADRA2A | |
| SCHEMBL2110954 | 0.75 | CKS1B (0.49) | MEN1KMT2A | |
| SCHEMBL10199938 | 0.75 | HTR2C (0.38) | SIGMAR1HTR2CHTR2AHTR3AHTR3E | |
| SCHEMBL2111899 | 0.75 | CYP1A2 (0.44) | SIGMAR1HTR2CTMEM97CYP1A2HTR1A |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150238506-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2015-08-27 | — | — | US | disclosed |
| US-20150238506-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2015-08-27 | — | — | US | disclosed |
| US-9079907-B2 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-07-14 | — | — | US | disclosed |
| US-9079907-B2 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-07-14 | — | — | US | disclosed |
| US-20120165312-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | SHIRAI JUNYA (JP) | 2012-06-28 | — | — | US | disclosed |
| US-20120165312-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | SHIRAI JUNYA (JP) | 2012-06-28 | — | — | US | disclosed |
| US-8158617-B2 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-04-17 | — | — | US | disclosed |
| US-8158617-B2 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-04-17 | — | — | US | disclosed |
| US-20090131402-A1 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2009-05-21 | — | — | US | disclosed |
| US-20090131402-A1 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2009-05-21 | — | — | 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 (3 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-20120165312-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | HTR2C, HTR3C, HTR3B | SIGMAR1 354/4885CASP1 1411/4885CASP5 1112/4885 |
| US-20090131402-A1 | Fused heterocyclic compound and use thereof | HTR2C, HTR3C, HTR3B | SIGMAR1 354/4885CASP1 1411/4885CASP5 1112/4885 |
| US-20150238506-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | HTR2C, HTR3C, HTR3B | SIGMAR1 354/4885CASP1 1411/4885CASP5 1112/4885 |
“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.