Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 2/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL31374647 | 0.81 | CYP1A2 (0.52) | CYP1A2CYP2A6ALDH1A1AHRESR2 | |
| SCHEMBL2300447 | 0.81 | CYP1A2 (0.52) | CYP1A2CYP2A6ALDH1A1AHRESR2 | |
| SCHEMBL10434554 | 0.81 | CYP1A2 (0.58) | CYP1A2CYP2A6ALDH1A1AHRESR2 | |
| SCHEMBL20375922 | 0.75 | TSHR (0.56) | CYP1A2CYP2A6ALDH1A1AHRESR2 | |
| SCHEMBL9623184 | 0.74 | ALDH1A1 (0.48) | CYP1A2CYP2A6ALDH1A1AHRESR2 | |
| SCHEMBL30620970 | 0.73 | CYP1A2 (0.48) | CYP1A2CYP2A6ALDH1A1AHRESR2 | |
| SCHEMBL4647911 | 0.71 | CYP1A2 (0.46) | CYP1A2CYP2A6ALDH1A1AHRGPR84 | |
| SCHEMBL11826117 | 0.70 | CYP1A2 (0.44) | CYP1A2CYP2A6ALDH1A1AHRESR2 | |
| SCHEMBL16029928 | 0.70 | CYP2A6 (0.44) | CYP1A2CYP2A6ALDH1A1AHRESR2 | |
| SCHEMBL11057887 | 0.70 | ALDH1A1 (0.48) | CYP1A2CYP2A6ALDH1A1AHRESR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0832057-A1 | DIAROMATIC PROPYNYL OR DIENYL COMPOUNDS | CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) | 1998-04-01 | — | — | EP | disclosed |
| WO-1997033856-A1 | DIAROMATIC PROPYNYL OR DIENYL COMPOUNDS | CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) | 1997-09-18 | — | — | WO | disclosed |