Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30150906 | 0.89 | TSHR (0.50) | TSHRCYP3A4CYP2D6OPRM1OPRL1 | |
| SCHEMBL30150905 | 0.89 | TSHR (0.50) | TSHRCYP3A4CYP2D6OPRM1OPRL1 | |
| SCHEMBL347104 | 0.88 | TSHR (0.47) | TSHRCYP3A4CYP2D6KDM4EDRD2 | |
| SCHEMBL20160626 | 0.84 | TSHR (0.58) | TSHRCYP3A4CYP2D6OPRM1OPRL1 | |
| SCHEMBL9851688 | 0.83 | TSHR (0.72) | TSHRCYP3A4CYP2D6KDM4ECYP1A2 | |
| SCHEMBL24841879 | 0.83 | OPRM1 (0.45) | TSHRKDM4EOPRM1OPRL1DRD2 | |
| SCHEMBL25144528 | 0.83 | TSHR (0.41) | TSHR | |
| SCHEMBL10263100 | 0.82 | TSHR (0.56) | TSHRCYP3A4CYP2D6OPRM1OPRL1 | |
| SCHEMBL23588701 | 0.80 | TSHR (0.46) | TSHRCYP3A4CYP2D6OPRM1OPRL1 | |
| SCHEMBL23063171 | 0.80 | TSHR (0.44) | TSHRCYP3A4CYP2D6CYP1A2CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023224963-A1 | DUAL-ACTING ANGIOTENSIN AND ENDOTHELIN RECEPTOR ANTAGONISTS | ARIA PHARMACEUTICALS, INC. (US) | 2023-11-23 | — | — | WO | disclosed |
| WO-2023066292-A1 | TRICYCLIC BORONIC ACID DERIVATIVE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 上海济煜医药科技有限公司 | 2023-04-27 | — | — | WO | disclosed |
| EP-4107153-A1 | COMPOUNDS | Inflazome Limited (IE) | 2022-12-28 | — | — | EP | disclosed |
| EP-0417631-A2 | Condensed diazepinones, process for their preparation, and medicaments containing these compounds | Dr. Karl Thomae GmbH (DE) | 1991-03-20 | — | — | EP | disclosed |