Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.45 |
| ▸ | CTSS | P25774 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | CKS1B | P61024 | 1/20 | 0.38 |
| ▸ | SKP1 | P63208 | 1/20 | 0.38 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.38 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.38 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8399579 | 0.87 | AKT1 (0.56) | AKT1CTSSCTSKCKS1BSKP1 | |
| SCHEMBL8401536 | 0.86 | PARP1 (0.42) | AKT1NQO2CKS1BSKP1SKP2 | |
| SCHEMBL5729170 | 0.82 | CTSS (0.54) | CTSSCTSKTAAR1NQO2OPRM1 | |
| SCHEMBL8401477 | 0.78 | CTSS (0.50) | CTSSCTSKTAAR1NQO2OPRM1 | |
| SCHEMBL5037823 | 0.76 | CTSS (0.48) | CTSSCTSKTAAR1NQO2SIGMAR1 | |
| SCHEMBL6285264 | 0.74 | CTSS (0.56) | CTSSCTSKTSHRLMNAPPARG | |
| SCHEMBL31456961 | 0.74 | CTSS (0.56) | CTSSCTSKTSHRLMNAPPARG | |
| SCHEMBL31687519 | 0.74 | ACKR3 (0.57) | CTSSCTSKSIGMAR1 | |
| SCHEMBL18198086 | 0.74 | CTSS (0.54) | CTSSCTSKNQO2IDO1TSHR | |
| SCHEMBL8399573 | 0.74 | GPR119 (0.53) | CTSSCTSKNQO2IDO1TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5998415-A | Bicyclic heteroaryl-alkylene-(homo)piperazinones and thione analogues thereof, their preparation, and their use of as selective agonists of 5-HT1 -like receptors | MERCK SHARP & DOHME LTD. (GB) | 1999-12-07 | — | — | US | disclosed |
| WO-1997016446-A1 | BICYCLIC HETEROARYL-ALKYLENE-(HOMO)PIPERAZINONES AND THIONE ANALOGUES THEREOF, THEIR PREPARATION AND THEIR USE AS SELECTIVE AGONISTS OF 5-HT1-LIKE RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1997-05-09 | — | — | WO | disclosed |