Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | KIF11 | P52732 | 1/20 | 0.49 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.46 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | QPCT | Q16769 | 1/20 | 0.45 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16404616 | 0.82 | TRPV4 (0.52) | KIF11NPC1TRPV4 | |
| SCHEMBL3634607 | 0.82 | — | — | |
| SCHEMBL2733524 | 0.81 | KIF11 (0.62) | CYP2A6ALDH1A1CYP1A2CYP3A4CA12 | |
| SCHEMBL12278611 | 0.78 | MEN1 (0.47) | CYP2A6ALDH1A1CYP1A2CYP3A4NPC1 | |
| SCHEMBL12005171 | 0.78 | PTGS2 (0.40) | CYP2A6CYP3A4NPC1PTGS2 | |
| SCHEMBL17619985 | 0.78 | TRPV4 (0.47) | TRPV4 | |
| SCHEMBL29468037 | 0.77 | NPC1 (0.68) | CYP2A6ALDH1A1CYP1A2CYP3A4KIF11 | |
| SCHEMBL6552315 | 0.77 | NPC1 (0.68) | CYP2A6ALDH1A1CYP1A2CYP3A4KIF11 | |
| SCHEMBL22778182 | 0.77 | NPC1 (0.68) | CYP2A6ALDH1A1CYP1A2CYP3A4KIF11 | |
| SCHEMBL16068085 | 0.75 | GRIN1 (0.55) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111344287-B | Novel substituted biaryl compounds as indoleamine 2, 3-dioxygenase (IDO) inhibitors | 默沙东有限责任公司 | 2023-12-19 | — | — | CN | disclosed |