Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | XIAP | P98170 | 1/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15565198 | 0.78 | HTR7 (0.40) | KDM4EKMT2AXIAPIMPDH2HTR7 | |
| SCHEMBL9429028 | 0.78 | HTR7 (0.47) | TSHRKDM4EKMT2AXIAPHTR7 | |
| SCHEMBL9343076 | 0.78 | XIAP (0.44) | TSHRKMT2AXIAPHTR7HTR3A | |
| SCHEMBL28894100 | 0.78 | HTR2A (0.41) | TSHRCYP1A2KDM4EHTR7HTR2A | |
| SCHEMBL8926318 | 0.77 | HTR3A (0.45) | TSHRKMT2AXIAPHTR7HTR3A | |
| SCHEMBL31454929 | 0.76 | HTR2A (0.43) | TSHRCYP1A2KDM4EKMT2AHTR2A | |
| SCHEMBL28162250 | 0.76 | TSHR (0.46) | TSHRCYP1A2CYP2C19KDM4EKMT2A | |
| SCHEMBL699112 | 0.76 | BIRC5 (0.43) | TSHRKDM4EKMT2AIMPDH2HTR7 | |
| SCHEMBL30097476 | 0.76 | BIRC5 (0.43) | TSHRKDM4EKMT2AIMPDH2HTR7 | |
| SCHEMBL9429932 | 0.75 | TSHR (0.44) | TSHRCYP1A2CYP2C19KDM4EKMT2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9394263-B2 | Substituted hetero-azepinones | F. HOFFMANN-LA ROCHE AG (CH) | 2016-07-19 | — | — | US | claimed |
| US-20150361059-A1 | SUBSTITUTED HETERO-AZEPINONES | HOFFMAN-LA ROCHE INC. (US) | 2015-12-17 | — | — | US | claimed |
| US-9394263-B2 | Substituted hetero-azepinones | F. HOFFMANN-LA ROCHE AG (CH) | 2016-07-19 | — | — | US | disclosed |
| US-20150361059-A1 | SUBSTITUTED HETERO-AZEPINONES | HOFFMAN-LA ROCHE INC. (US) | 2015-12-17 | — | — | US | disclosed |
| US-5374615-A | Treating hypertension and congestive heart failure, preventing cardiac hypertrophy | E. R. SQUIBB & SONS, INC. (US) | 1994-12-20 | — | — | US | disclosed |
| EP-0547827-A1 | Indole and benzimidazole-substituted dihydropyrimidine derivatives useful as A-II receptors antagonists | E.R. SQUIBB & SONS, INC. (US) | 1993-06-23 | — | — | EP | disclosed |
| US-5212177-A | INDOLE AND BENZIMIDAZOLE-SUBSTITUTED DIHYDROPYRIMIDINE DERIVATIVES | E. R. SQUIBB & SONS, INC. (US) | 1993-05-18 | — | — | US | disclosed |
| EP-0488532-A1 | Indole- and benzimidazole-substituted imidazole and benzimidazole derivatives | E.R. Squibb & Sons, Inc. (US) | 1992-06-03 | — | — | EP | 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 (1 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-20150361059-A1 | SUBSTITUTED HETERO-AZEPINONES | CCNY, CCNE1, CCND3 | TSHR 1000/4885CYP1A2 544/4885CYP2C19 126/4885 |
“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.