Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 3/20 | 0.43 |
| ▸ | MAOB | P27338 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 4/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6849329 | 0.76 | CYP1A2 (0.52) | CYP1A2CYP2D6CYP3A4PRMT1MAOB | |
| SCHEMBL4092393 | 0.76 | CYP1A2 (0.53) | CYP1A2CYP2D6CYP3A4PRMT1MAOA | |
| SCHEMBL2059345 | 0.69 | CYP1A2 (0.46) | CYP1A2CYP2D6CYP3A4PRMT1MAOB | |
| SCHEMBL9800583 | 0.68 | CYP2D6 (0.59) | CYP1A2CYP2D6CYP3A4PRMT1MAOB | |
| SCHEMBL28655920 | 0.68 | ATM (0.46) | CYP1A2CYP2D6MAOBATMIDO1 | |
| SCHEMBL27810843 | 0.68 | ATM (0.46) | CYP1A2CYP2D6MAOBATMIDO1 | |
| SCHEMBL11840817 | 0.68 | CYP1A2 (0.48) | CYP1A2CYP2D6CYP3A4PRMT1MAOB | |
| SCHEMBL27395651 | 0.68 | IDO1 (0.49) | CYP1A2CYP2D6MAOAMAOBIDO1 | |
| SCHEMBL27315824 | 0.68 | CYP1A2 (0.44) | CYP1A2CYP2D6CYP3A4PRMT1MAOB | |
| Benzyl Thiocyanate SCHEMBL129196 | 0.67 | MAOB (0.48) | CYP1A2MAOAMAOBPOLBIDO1 |
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-3988375-A | HERBICIDES | MONSANTO COMPANY (US) | 1976-10-26 | — | — | US | disclosed |