Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.42 |
| ▸ | USP2 | O75604 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7303943 | 0.94 | ALDH1A1 (0.53) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7313419 | 0.90 | PDE3B (0.48) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7304090 | 0.85 | KDM4E (0.43) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7312406 | 0.83 | PDE3B (0.43) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7316314 | 0.83 | ALDH1A1 (0.46) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7313133 | 0.82 | ALDH1A1 (0.43) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7310025 | 0.82 | PKM (0.44) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7318076 | 0.81 | KCNH2 (0.42) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7317769 | 0.81 | PDE3B (0.45) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7307939 | 0.81 | PDE3B (0.41) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4277479-A | ANTI-ASTHMATIC, HYPOTENSIVE, ANTI-ULCER, ANTIINFLAMMATORY, VASODILATION, ENZYME INHIBITORS, ANTICOAGULANTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1981-07-07 | — | — | US | disclosed |