Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | RAD52 | P43351 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 4/20 | 0.45 |
| ▸ | MAOB | P27338 | 4/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| SCHEMBL15442444 | 0.88 | NR2E1 (0.49) | NR2E1CYP3A4CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL3343040 | 0.86 | NR2E1 (0.48) | NR2E1CYP3A4CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL1824196 | 0.81 | CYP3A4 (0.46) | NR2E1CYP3A4CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL15222204 | 0.81 | MAOA (0.50) | NR2E1CYP3A4CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL1828556 | 0.80 | NR2E1 (0.43) | NR2E1CYP3A4CYP1A2CYP2D6CYP19A1 | |
| Hydrochloric Acid SCHEMBL1823628 | 0.80 | CYP3A4 (0.44) | NR2E1CYP3A4CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL9700820 | 0.80 | CYP3A4 (0.44) | NR2E1CYP3A4CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL22198918 | 0.79 | CYP1A2 (0.46) | NR2E1CYP3A4CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL27985278 | 0.79 | CYP1A2 (0.65) | NR2E1CYP3A4CYP1A2CYP2D6CYP19A1 | |
| SCHEMBL30217888 | 0.79 | IP6K1 (0.49) | NR2E1CYP3A4CYP1A2CYP2D6CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5171851-A | Cardiac stimulant | DONG-A PHARM. CO., LTD. (KR) | 1992-12-15 | — | — | US | disclosed |
| EP-0510235-A1 | Novel benzoxazine or benzothiazine derivatives and process for the preparation of the same | DONG-A PHARM. CO., LTD. (KR) | 1992-10-28 | — | — | EP | disclosed |