Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 2/20 | 0.47 |
| ▸ | CKS1B | P61024 | 1/20 | 0.44 |
| ▸ | SKP1 | P63208 | 1/20 | 0.44 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 3/20 | 0.41 |
| ▸ | CTSS | P25774 | 2/20 | 0.41 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 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 | |
|---|---|---|---|---|
| SCHEMBL8399579 | 0.81 | AKT1 (0.56) | AKT1CKS1BSKP1SKP2CTSK | |
| SCHEMBL8002649 | 0.76 | MEN1 (0.43) | AKT1CKS1BSKP1SKP2CTSS | |
| SCHEMBL9540577 | 0.74 | CKS1B (0.49) | AKT1CKS1BSKP1SKP2CTSS | |
| SCHEMBL19847664 | 0.74 | CTSK (0.52) | CTSKCTSSMALT1IDO1SYK | |
| SCHEMBL10318066 | 0.74 | CTSK (0.52) | CTSKCTSSMALT1IDO1SYK | |
| SCHEMBL10318067 | 0.74 | CTSK (0.52) | CTSKCTSSMALT1IDO1SYK | |
| SCHEMBL8402659 | 0.73 | MEN1 (0.49) | CTSKCTSSMALT1IDO1GPR88 | |
| SCHEMBL17532685 | 0.73 | CKS1B (0.53) | AKT1CKS1BSKP1SKP2CTSS | |
| SCHEMBL31634884 | 0.72 | MEN1 (0.47) | CKS1BSKP1SKP2CTSKCTSS | |
| SCHEMBL22833183 | 0.72 | CTSL (0.54) | AKT1CKS1BSKP1SKP2CTSS |
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 |