Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.53 |
| ▸ | CTSS | P25774 | 1/20 | 0.51 |
| ▸ | CTSK | P43235 | 1/20 | 0.51 |
| ▸ | NAMPT | P43490 | 1/20 | 0.48 |
| ▸ | SRC | P12931 | 1/20 | 0.47 |
| ▸ | GLS | O94925 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | VNN1 | O95497 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.44 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.43 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.43 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.43 |
| ▸ | NQO2 | P16083 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14679447 | 0.86 | POLB (0.53) | GLSIDO1MAPK8ANO1NQO2 | |
| SCHEMBL5729170 | 0.85 | CTSS (0.54) | CTSSCTSKNAMPTIDO1LMNA | |
| SCHEMBL18198086 | 0.85 | CTSS (0.54) | CTSSCTSKMAPK1RAB9AIDO1 | |
| SCHEMBL27099063 | 0.84 | CTSS (0.50) | GPR119CTSSCTSKSRCGLS | |
| SCHEMBL30561258 | 0.84 | CTSS (0.50) | GPR119CTSSCTSKSRCGLS | |
| SCHEMBL14155336 | 0.84 | LMNA (0.56) | CTSSCTSKRAB9ALMNA | |
| SCHEMBL8401477 | 0.84 | CTSS (0.50) | CTSSCTSKNAMPTIDO1LMNA | |
| SCHEMBL1294761 | 0.83 | CTSS (0.52) | GPR119CTSSCTSKGLSMAPK1 | |
| SCHEMBL31456961 | 0.82 | CTSS (0.56) | CTSSCTSKSRCGLSMAPK1 | |
| SCHEMBL6285264 | 0.82 | CTSS (0.56) | CTSSCTSKSRCGLSMAPK1 |
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 1 patent. 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 |