Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8710872 | 0.76 | MAOB (0.50) | MAPK1MAOBSMN1; SMN2SIGMAR1KCNH2 | |
| SCHEMBL16056158 | 0.72 | ALDH1A1 (0.43) | CYP3A4CYP2D6TDP1KDM4ELMNA | |
| SCHEMBL5440741 | 0.72 | TDP1 (0.43) | CYP3A4CYP2C19TDP1SMN1; SMN2KDM4E | |
| SCHEMBL794180 | 0.68 | MAOB (0.46) | MAPK1MAOBSIGMAR1KCNH2 | |
| SCHEMBL8817971 | 0.68 | MAOB (0.46) | MAPK1MAOBTACR1SIGMAR1 | |
| SCHEMBL30688325 | 0.68 | CYP1A2 (0.46) | MAOBCYP3A4CYP1A2TDP1KDM4E | |
| SCHEMBL3204506 | 0.67 | CYP1A2 (0.72) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9226100 | 0.67 | MAOB (0.44) | MAPK1MAOBCYP3A4CYP1A2CYP2D6 | |
| SCHEMBL11967590 | 0.65 | MAOB (0.43) | MAPK1MAOBLMNASIGMAR1KCNH2 | |
| SCHEMBL11498274 | 0.65 | MAOB (0.43) | MAPK1MAOBCYP3A4CYP2C19SMN1; SMN2 |
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-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 |