Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4871529 | 0.74 | ALDH1A1 (0.55) | TDP1MEN1ALDH1A1KMT2ACYP2A6 | |
| SCHEMBL22681399 | 0.73 | TDP1 (0.60) | MAPK1TDP1ALDH1A1 | |
| SCHEMBL189622 | 0.72 | ALDH1A1 (0.59) | CYP3A4MAPK1TDP1MEN1ALDH1A1 | |
| SCHEMBL14223535 | 0.72 | ALDH1A1 (0.39) | CYP3A4MAPK1TDP1MEN1ALDH1A1 | |
| SCHEMBL16958731 | 0.72 | CYP3A4 (0.42) | CYP3A4MAPK1TDP1MEN1ALDH1A1 | |
| SCHEMBL5413852 | 0.72 | CYP3A4 (0.36) | CYP3A4MAPK1TDP1MEN1ALDH1A1 | |
| SCHEMBL11340423 | 0.69 | ALDH1A1 (0.38) | CYP3A4MAPK1TDP1MEN1ALDH1A1 | |
| SCHEMBL11340421 | 0.69 | ALDH1A1 (0.38) | CYP3A4MAPK1TDP1MEN1ALDH1A1 | |
| SCHEMBL17146971 | 0.67 | HTR2A (0.36) | CYP3A4 | |
| SCHEMBL29368277 | 0.67 | CYP3A4 (0.62) | CYP3A4MAPK1TDP1ALDH1A1CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2066312-B1 | USE OF CHLORINE GUANABENZ DERIVATIVES FOR TREATING POLYGLUTAMINE EXPANSION ASSOCIATED DISEASES | CENTRE NAT RECH SCIENT (FR) | 2012-03-07 | — | — | EP | disclosed |