Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.52 |
| ▸ | RARB | P10826 | 6/20 | 0.49 |
| ▸ | CYP26A1 | O43174 | 5/20 | 0.49 |
| ▸ | RARG | P13631 | 5/20 | 0.49 |
| ▸ | RARA | P10276 | 4/20 | 0.49 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.49 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 8/20 | 0.41 |
| ▸ | RXRB | P28702 | 5/20 | 0.41 |
| ▸ | RXRG | P48443 | 4/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7714910 | 0.88 | RARB (0.58) | CYP3A4RARBCYP26A1RARGRARA | |
| SCHEMBL7937802 | 0.88 | RXRA (0.41) | CYP3A4RARBCYP26A1RARGRARA | |
| SCHEMBL19342969 | 0.87 | RARB (0.56) | CYP3A4RARBCYP26A1RARGRARA | |
| SCHEMBL7928392 | 0.87 | RXRA (0.40) | CYP3A4RARBCYP26A1RARGRARA | |
| SCHEMBL7709220 | 0.86 | CYP3A4 (0.65) | CYP3A4RARBCYP26A1RARGRARA | |
| SCHEMBL7714846 | 0.86 | RARA (0.52) | CYP3A4RARBCYP26A1RARGRARA | |
| SCHEMBL7752278 | 0.80 | CYP3A4 (0.44) | CYP3A4RARBCYP26A1RARGRARA | |
| SCHEMBL6876627 | 0.80 | CYP3A4 (0.43) | CYP3A4RARBCYP26A1RARGRARA | |
| SCHEMBL7714935 | 0.79 | RARB (0.42) | CYP3A4RARBCYP26A1RARGRARA | |
| SCHEMBL7713094 | 0.78 | CYP3A4 (0.41) | CYP3A4RARBCYP26A1RARGRARA |
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 |
|---|---|---|---|---|---|---|---|
| US-6368608-B1 | SKIN DISORDERS | CENTRE INTERNATIONAL DE RECHERCHE DERMATOLOGIQUES GALDERMA (C.I.R.D.) (FR) | 2002-04-09 | — | — | US | disclosed |
| US-6162445-A | Polyaromatic propynyl compounds and pharmaceutical/cosmetic compositions comprised thereof | CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) | 2000-12-19 | — | — | US | disclosed |