Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | TIPARP | Q7Z3E1 | 8/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | HTR3A | P46098 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.30 |
| ▸ | SOS1 | Q07889 | 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 | |
|---|---|---|---|---|
| SCHEMBL24639248 | 1.00 | NLRP3 (0.39) | NLRP3KCNH2OPRL1TIPARPCHRNA7 | |
| SCHEMBL24640720 | 0.89 | OPRL1 (0.33) | NLRP3KCNH2OPRL1 | |
| SCHEMBL24640631 | 0.85 | SOS1 (0.35) | KCNH2CHRNA7HTR3AHRH4SOS1 | |
| SCHEMBL24639268 | 0.85 | NLRP3 (0.40) | NLRP3TIPARPSOS1 | |
| SCHEMBL24640606 | 0.82 | SOS1 (0.39) | KCNH2TIPARPCHRNA7HTR3ASOS1 | |
| SCHEMBL24640827 | 0.76 | NLRP3 (0.42) | NLRP3KCNH2TIPARPCYP2D6CYP2C9 | |
| SCHEMBL31245005 | 0.76 | HTR2C (0.44) | — | |
| SCHEMBL31245376 | 0.76 | HTR2C (0.44) | — | |
| SCHEMBL31244786 | 0.76 | HTR2C (0.44) | — | |
| SCHEMBL24639251 | 0.73 | NLRP3 (0.41) | NLRP3KCNH2TIPARPCYP2D6CYP2C9 |
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 |