Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR2E1 | Q9Y466 | 5/20 | 0.49 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 3/20 | 0.35 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | LDLR | P01130 | 1/20 | 0.32 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | BCR | P11274 | 1/20 | 0.31 |
| ▸ | RAF1 | P04049 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10680211 | 0.80 | CYP1A2 (0.32) | CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9701824 | 0.77 | NR2E1 (0.46) | NR2E1CYP2E1CYP2A6CYP1A2CYP3A4 | |
| SCHEMBL9699728 | 0.77 | NR2E1 (0.46) | NR2E1CYP2E1CYP2A6CYP1A2CYP3A4 | |
| SCHEMBL9700802 | 0.77 | NR2E1 (0.46) | NR2E1CYP2E1CYP2A6CYP1A2CYP3A4 | |
| SCHEMBL9701793 | 0.73 | NR2E1 (0.48) | NR2E1CYP2E1CYP2A6CYP1A2CYP3A4 | |
| SCHEMBL12354425 | 0.71 | NR2E1 (0.65) | NR2E1CYP2E1CYP2A6CYP1A2CYP3A4 | |
| SCHEMBL3343040 | 0.70 | NR2E1 (0.48) | NR2E1CYP2E1CYP2A6CYP1A2CYP3A4 | |
| SCHEMBL27985278 | 0.68 | CYP1A2 (0.65) | NR2E1CYP2E1CYP2A6CYP1A2CYP3A4 | |
| SCHEMBL264998 | 0.68 | CYP1A2 (0.56) | NR2E1CYP2E1CYP2A6CYP1A2CYP3A4 | |
| SCHEMBL4668245 | 0.68 | CYP1A2 (0.56) | NR2E1CYP2E1CYP2A6CYP1A2CYP3A4 |
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 |