Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | CCR6 | P51684 | 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 | |
|---|---|---|---|---|
| SCHEMBL9757020 | 0.87 | FAAH (0.53) | MAOAMAOBCA12CA1CA2 | |
| SCHEMBL14897791 | 0.84 | ALDH1A1 (0.48) | MAOAMAOBCA12CA1CA2 | |
| SCHEMBL31745175 | 0.84 | CYP1A2 (0.46) | MAOAMAOBCA12CA1CA2 | |
| SCHEMBL4346782 | 0.84 | CA12 (0.49) | MAOAMAOBCA12CA1CA2 | |
| SCHEMBL31745296 | 0.83 | DHODH (0.50) | MAOAMAOBMAPTCYP1A2KMT2A | |
| SCHEMBL9757082 | 0.82 | ELANE (0.44) | MAOAMAOBCYP1A2KMT2AMEN1 | |
| SCHEMBL9757203 | 0.81 | ALDH1A1 (0.41) | MAOAMAOBCA12CA1CA2 | |
| SCHEMBL9757218 | 0.80 | ALDH1A1 (0.43) | NPC1MAPTRAB9ACYP1A2GAA | |
| SCHEMBL29728162 | 0.79 | KDM4E (0.50) | NPC1MAPTRAB9ACYP1A2KMT2A | |
| SCHEMBL9760991 | 0.79 | TSHR (0.39) | MAOAMAOBCA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991019475-A2 | QUINOLINYL-BENZOHETEROBICYCLIC DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? | RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) | 1991-12-26 | — | — | WO | disclosed |
| US-5041453-A | Quinolinyl-benzoheterobicyclic derivatives as antagonists of leukotriene D4 | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1991-08-20 | — | — | US | disclosed |