Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.41 |
| ▸ | TIPARP | Q7Z3E1 | 11/20 | 0.37 |
| ▸ | PARP2 | Q9UGN5 | 3/20 | 0.37 |
| ▸ | GRM5 | P41594 | 4/20 | 0.36 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24640827 | 0.85 | NLRP3 (0.42) | NLRP3TIPARPPARP2GRM5CYP3A4 | |
| SCHEMBL24639281 | 0.82 | SOS1 (0.38) | TIPARPPARP2GRM5KDM2BCYP3A4 | |
| SCHEMBL24639245 | 0.81 | NLRP3 (0.40) | NLRP3TIPARPPARP2CYP3A4CYP2D6 | |
| SCHEMBL24639268 | 0.78 | NLRP3 (0.40) | NLRP3TIPARP | |
| SCHEMBL24640657 | 0.78 | NLRP3 (0.36) | NLRP3TIPARPPARP2CYP3A4CYP2D6 | |
| SCHEMBL31244739 | 0.77 | HTR2C (0.45) | — | |
| SCHEMBL24639248 | 0.73 | NLRP3 (0.39) | NLRP3TIPARPCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL24639259 | 0.73 | NLRP3 (0.39) | NLRP3TIPARPCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL31245472 | 0.72 | TIPARP (0.52) | TIPARPPARP2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL24640610 | 0.72 | TIPARP (0.39) | NLRP3TIPARPCYP3A4CYP2D6CYP2C9 |
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-2022170974-A1 | TRICYCLIC DERIVATIVES USEFUL AS PARP7 INHIBITORS | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2022-08-18 | — | — | WO | disclosed |