Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | VDR | P11473 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4191354 | 0.83 | CYP1A2 (0.41) | CYP1A2CYP2C19CYP3A4ALDH1A1POLB | |
| SCHEMBL757178 | 0.83 | CYP2C19 (0.48) | CYP1A2CYP2D6CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL841261 | 0.79 | MEN1 (0.56) | CYP1A2CYP2D6CYP2C19CYP3A4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6737822 | 0.77 | MEN1 (0.55) | CYP1A2CYP2D6CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL764718 | 0.75 | ALDH1A1 (0.36) | CYP1A2CYP2D6CYP2C19ALDH1A1POLB | |
| SCHEMBL4197869 | 0.73 | CYP1A2 (0.46) | CYP1A2CYP2C19CYP3A4ALDH1A1POLB | |
| SCHEMBL16937258 | 0.73 | CYP1A2 (0.39) | CYP1A2CYP2D6CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL19272979 | 0.71 | CYP1A2 (0.38) | CYP1A2CYP2D6CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL5657527 | 0.71 | CYP1A2 (0.41) | CYP1A2CYP2C19CYP3A4ALDH1A1POLB | |
| SCHEMBL5378519 | 0.71 | CYP1A2 (0.36) | CYP1A2CYP2D6CYP2C19POLBSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993011117-A1 | PYRAZOLE CARBOXANILIDE FUNGICIDES | MONSANTO COMPANY (US) | 1993-06-10 | — | — | WO | disclosed |