Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARA | P10276 | 2/20 | 0.33 |
| ▸ | RARB | P10826 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.31 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8772590 | 0.73 | RARA (0.32) | RARARARBCYP3A4CYP26A1 | |
| SCHEMBL8772535 | 0.67 | PDE4B (0.34) | CYP1A2TP53 | |
| SCHEMBL8836607 | 0.66 | CYP26A1 (0.32) | RARARARBCYP3A4CYP26A1 | |
| SCHEMBL8772525 | 0.66 | RARB (0.47) | RARARARBKMT2ACYP3A4CYP26A1 | |
| SCHEMBL4357259 | 0.66 | HSD17B10 (0.58) | MAPTPOLBKMT2ACYP3A4ALDH1A1 | |
| SCHEMBL8836860 | 0.65 | RARB (0.60) | RARARARBCYP3A4CYP26A1 | |
| SCHEMBL9254042 | 0.65 | RXRA (0.55) | RARARARBCYP3A4CYP26A1CYP26B1 | |
| SCHEMBL19638940 | 0.62 | TSHR (0.67) | MAPTKMT2ACYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL22690890 | 0.60 | TSHR (0.71) | POLBCYP3A4ESR1ALDH1A1CYP1A2 | |
| SCHEMBL10409278 | 0.60 | RARA (0.49) | RARARARBMAPTKMT2ACYP3A4 |
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-0800517-A1 | ACETYLENES DISUBSTITUTED WITH A 5 OR 8 SUBSTITUTED TETRAHYDRONAPHTHYL OR DIHYDRONAPHTHYL GROUP AND WITH AN ARYL OR HETEROARYL GROUPS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | Allergan (US) | 1997-10-15 | — | — | EP | disclosed |