Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.34 |
| ▸ | KRAS | P01116 | 1/20 | 0.34 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.34 |
| ▸ | TIPARP | Q7Z3E1 | 13/20 | 0.34 |
| ▸ | WEE1 | P30291 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PARP12 | Q9H0J9 | 1/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.33 |
| ▸ | AXL | P30530 | 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 | |
|---|---|---|---|---|
| SCHEMBL24675032 | 1.00 | HTR2A (0.34) | HTR2AHTR2CHTR2BKRASSOS1 | |
| SCHEMBL24675018 | 1.00 | HTR2A (0.34) | HTR2AHTR2CHTR2BKRASSOS1 | |
| SCHEMBL24640938 | 0.87 | HTR2A (0.38) | HTR2AHTR2CHTR2BSOS1TIPARP | |
| SCHEMBL24640360 | 0.87 | HTR2A (0.38) | HTR2AHTR2CHTR2BSOS1TIPARP | |
| SCHEMBL24763873 | 0.83 | KRAS (0.36) | HTR2AHTR2CHTR2BKRASSOS1 | |
| SCHEMBL24639263 | 0.82 | TIPARP (0.34) | KRASSOS1TIPARPPARP1CYP2C9 | |
| SCHEMBL24675063 | 0.77 | MEN1 (0.36) | HTR2AHTR2CHTR2BKRASSOS1 | |
| SCHEMBL24640361 | 0.77 | HTR2A (0.45) | HTR2AHTR2CHTR2BCYP2C9CYP2C19 | |
| SCHEMBL24640162 | 0.77 | HTR2A (0.45) | HTR2AHTR2CHTR2BCYP2C9CYP2C19 | |
| SCHEMBL24675059 | 0.77 | MEN1 (0.36) | HTR2AHTR2CHTR2BKRASSOS1 |
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 |