Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | HTR2B | P41595 | 2/20 | 0.37 |
| ▸ | TIPARP | Q7Z3E1 | 11/20 | 0.35 |
| ▸ | PARP2 | Q9UGN5 | 3/20 | 0.35 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 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 | |
|---|---|---|---|---|
| SCHEMBL24675045 | 1.00 | HTR2A (0.37) | HTR2AHTR2CHTR2BTIPARPPARP2 | |
| SCHEMBL24640360 | 0.86 | HTR2A (0.38) | HTR2AHTR2CHTR2BTIPARPPARP2 | |
| SCHEMBL24640938 | 0.86 | HTR2A (0.38) | HTR2AHTR2CHTR2BTIPARPPARP2 | |
| SCHEMBL26958101 | 0.83 | TIPARP (0.47) | HTR2AHTR2CHTR2BTIPARPPARP2 | |
| SCHEMBL24640620 | 0.83 | TIPARP (0.47) | HTR2AHTR2CHTR2BTIPARPPARP2 | |
| SCHEMBL24639255 | 0.81 | TIPARP (0.38) | HTR2AHTR2CHTR2BTIPARPPARP2 | |
| SCHEMBL24675074 | 0.78 | HTR2A (0.37) | HTR2AHTR2CHTR2BSOS1 | |
| SCHEMBL24640004 | 0.77 | HTR2A (0.43) | HTR2AHTR2CHTR2BSOS1CYP2D6 | |
| SCHEMBL24640008 | 0.77 | HTR2A (0.43) | HTR2AHTR2CHTR2BSOS1CYP2D6 | |
| SCHEMBL24640006 | 0.77 | HTR2A (0.43) | HTR2AHTR2CHTR2BSOS1CYP2D6 |
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-2022223022-A1 | FUSED-RING HETEROCYCLE DERIVATIVE AND MEDICAL APPLICATION THEREOF | 四川海思科制药有限公司 | 2022-10-27 | — | — | WO | disclosed |