Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | AHR | P35869 | 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 | |
|---|---|---|---|---|
| SCHEMBL900037 | 0.77 | ALDH1A1 (0.42) | CYP3A4MAPK1ALDH1A1CYP2A6HTR2A | |
| SCHEMBL24717442 | 0.75 | ALDH1A1 (0.38) | NOTUMCYP3A4MAPK1ALDH1A1 | |
| SCHEMBL16815713 | 0.75 | HTR2A (0.31) | NOTUMHTR2AHTR2CHTR2B | |
| SCHEMBL31282393 | 0.75 | HTR2A (0.31) | NOTUMHTR2AHTR2CHTR2B | |
| SCHEMBL6505405 | 0.75 | NOTUM (0.52) | NOTUMCYP3A4MAPK1CYP2A6AHR | |
| SCHEMBL21218770 | 0.73 | ACHE (0.33) | CYP3A4 | |
| SCHEMBL258271 | 0.72 | CYP3A4 (0.39) | CYP3A4MAPK1ALDH1A1CYP2A6HTR2A | |
| SCHEMBL27803122 | 0.72 | CYP3A4 (0.39) | CYP3A4MAPK1ALDH1A1CYP2A6HTR2A | |
| SCHEMBL31104337 | 0.70 | NOTUM (0.35) | NOTUMCYP3A4MAPK1ALDH1A1 | |
| SCHEMBL1561688 | 0.68 | CYP3A4 (0.35) | CYP3A4MAPK1ALDH1A1CYP2A6HTR2A |
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-2009119528-A1 | HETEROCYCLIC COMPOUND | 武田薬品工業株式会社 (JP) | 2009-10-01 | — | — | WO | disclosed |