Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9985184 | 0.92 | CYP19A1 (0.42) | CYP19A1PPARGPPARAALDH1A1EPHX1 | |
| SCHEMBL55886 | 0.85 | SLC6A2 (0.48) | SLC6A3SLC6A4EPHX1 | |
| SCHEMBL28819403 | 0.81 | PPARG (0.45) | PPARGPPARAALDH1A1SLC6A3SLC6A4 | |
| SCHEMBL11619999 | 0.81 | CYP19A1 (0.50) | CYP19A1CNR2ALDH1A1SLC6A3SLC6A4 | |
| SCHEMBL6987000 | 0.80 | CNR1 (0.44) | CYP19A1PPARGPPARACNR2SLC6A3 | |
| SCHEMBL28382111 | 0.80 | ESR1 (0.47) | ALDH1A1SLC6A3DRD3 | |
| SCHEMBL5454064 | 0.79 | SIGMAR1 (0.44) | CYP19A1ALDH1A1SLC6A3SLC6A4 | |
| SCHEMBL10636338 | 0.78 | KDM4E (0.55) | CYP19A1PPARGPPARACNR2KDM4E | |
| SCHEMBL3285416 | 0.76 | EPHX1 (0.50) | CYP19A1PPARGPPARACNR2KDM4E | |
| SCHEMBL15627637 | 0.76 | ESR1 (0.52) | CYP19A1PPARGPPARACNR2KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1440390-A | Substituted diamine derivatives as motilin antagonists | ORTHO MCNEIL PHARM INC (US) | 2003-09-03 | — | — | CN | claimed |
| EP-1294695-A2 | SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-03-26 | — | — | EP | claimed |
| WO-2001085694-A2 | SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-11-15 | — | — | WO | claimed |