Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDB1 | Q16531 | 4/20 | 0.43 |
| ▸ | CRBN | Q96SW2 | 4/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 4/20 | 0.33 |
| ▸ | MAOB | P27338 | 4/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | PNMT | P11086 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 2/20 | 0.30 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1498492 | 0.83 | LRRK2 (0.36) | ARKDM1AHTR2CPNMT | |
| SCHEMBL12688385 | 0.80 | DDB1 (0.36) | DDB1CRBN | |
| SCHEMBL30939405 | 0.80 | SMN1; SMN2 (0.33) | CRBNMAOAMAOB | |
| SCHEMBL24483590 | 0.79 | DDB1 (0.45) | DDB1CRBNARMAOAMAOB | |
| SCHEMBL22816650 | 0.76 | HTR2C (0.53) | MAOAMAOBKDM1AHTR2C | |
| SCHEMBL2003236 | 0.74 | DDB1 (0.46) | DDB1CRBNARMAOAMAOB | |
| SCHEMBL16845561 | 0.73 | TEAD1 (0.44) | — | |
| SCHEMBL24529835 | 0.72 | HTR2C (0.56) | DDB1CRBNARMAOAMAOB | |
| SCHEMBL1998036 | 0.72 | MAOB (0.48) | DDB1CRBNARMAOAMAOB | |
| SCHEMBL4795373 | 0.71 | CCR6 (0.44) | HTR2C |
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 |
|---|---|---|---|---|---|---|---|
| EP-1907372-A1 | SUBSTITUTED CYCLOHEXYL DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2008-04-09 | — | — | EP | disclosed |
| WO-2007003965-A1 | SUBSTITUTED CYCLOHEXYL DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2007-01-11 | — | — | WO | disclosed |