Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ST14 | Q9Y5Y6 | 3/20 | 0.50 |
| ▸ | MAOB | P27338 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | PNMT | P11086 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12239005 | 0.83 | FFAR1 (0.60) | ST14MAOBMAPTCYP1A2CYP2C9 | |
| SCHEMBL13904298 | 0.81 | MAOB (0.50) | ST14MAOBHTR2ASLC6A4KCNH2 | |
| SCHEMBL765629 | 0.81 | ST14 (0.50) | ST14MAOBMAPTCYP1A2CYP2C9 | |
| SCHEMBL12239029 | 0.81 | ST14 (0.50) | ST14MAOBMAPTCYP1A2CYP2C9 | |
| SCHEMBL10121244 | 0.80 | ST14 (0.53) | ST14MAOBMAPTCYP1A2CYP2C9 | |
| SCHEMBL13904294 | 0.77 | ST14 (0.50) | ST14MAOBFFAR1MRGPRX4PDE7A | |
| SCHEMBL12239032 | 0.77 | ST14 (0.46) | ST14MAOBMAPTCYP1A2CYP2C9 | |
| SCHEMBL921428 | 0.77 | ST14 (0.68) | ST14MAOBPNMTTAAR1 | |
| SCHEMBL13904297 | 0.76 | ST14 (0.52) | ST14MAOBALDH1A1TAAR1HTT | |
| Hydrochloric Acid SCHEMBL6159403 | 0.75 | MAOB (0.69) | ST14MAOBMAPTCYP1A2CYP2C9 |
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-2188254-B1 | NOVEL BRADYKININ B1-ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2012-03-21 | — | — | EP | disclosed |
| WO-2009027450-A1 | NOVEL BRADYKININ B1-ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-05 | — | — | WO | disclosed |