Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | HBB | P68871 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | PLAU | P00749 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17916271 | 0.84 | CYP3A4 (0.48) | ALDH1A1CYP3A4HSD17B10TDP1ALOX15 | |
| SCHEMBL31195785 | 0.80 | ALDH1A1 (0.48) | ALDH1A1CYP3A4HSD17B10TDP1HIF1A | |
| SCHEMBL188682 | 0.80 | ALDH1A1 (0.48) | ALDH1A1CYP3A4HSD17B10TDP1HIF1A | |
| SCHEMBL28461369 | 0.80 | ESR1 (0.45) | ALDH1A1CYP3A4HSD17B10TDP1ALOX15 | |
| SCHEMBL16623897 | 0.80 | TDP1 (0.45) | ALDH1A1CYP3A4HSD17B10TDP1ALOX15 | |
| SCHEMBL28342460 | 0.79 | ESR1 (0.56) | ALDH1A1CYP3A4HSD17B10TDP1ALOX15 | |
| SCHEMBL4927628 | 0.79 | ESR1 (0.44) | ALDH1A1CYP3A4HSD17B10TDP1ALOX15 | |
| SCHEMBL28681140 | 0.76 | PLA2G7 (0.46) | ALDH1A1CYP3A4HSD17B10TDP1ALOX15 | |
| SCHEMBL6022595 | 0.76 | HSD17B10 (0.56) | ALDH1A1CYP3A4HSD17B10TDP1CASP7 | |
| SCHEMBL28060517 | 0.76 | HPRT1 (0.55) | ALDH1A1CYP3A4HSD17B10TDP1HIF1A |
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-2011041529-A2 | TRI-2-NAPHTHYLAMINES | ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) | 2011-04-07 | — | — | WO | disclosed |