Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.40 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8765582 | 0.73 | CYP2C19 (0.49) | ALDH1A1SLC1A3SLC1A2SLC1A1TDP1 | |
| SCHEMBL28367950 | 0.72 | ALDH1A1 (0.49) | ALDH1A1CYP3A4ALOX15TDP1USP2 | |
| SCHEMBL27584268 | 0.71 | POLB (0.47) | ALDH1A1SLC1A3SLC1A2SLC1A1TDP1 | |
| Bicarbonate SCHEMBL29658892 | 0.71 | ALDH1A1 (0.52) | ALDH1A1CYP3A4ALOX15SLC1A3SLC1A2 | |
| SCHEMBL8765876 | 0.71 | NAAA (0.35) | — | |
| SCHEMBL2199125 | 0.71 | MAPK1 (0.52) | ALDH1A1CYP3A4ALOX15TDP1USP2 | |
| SCHEMBL9705770 | 0.69 | MAPT (0.52) | ALDH1A1CYP3A4ALOX15TDP1USP2 | |
| Hydrochloric Acid SCHEMBL11635247 | 0.69 | MAPK1 (0.50) | ALDH1A1CYP3A4ALOX15TDP1USP2 | |
| SCHEMBL16672942 | 0.69 | ERAP1 (0.46) | HPGDKMT2ATSHR | |
| SCHEMBL7094868 | 0.69 | ALDH1A1 (0.67) | ALDH1A1CYP3A4ALOX15TDP1USP2 |
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-0785782-A1 | DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID-LIKE ACTIVITY | Allergan (US) | 1997-07-30 | — | — | EP | disclosed |
| WO-1996011686-A1 | DISUBSTITUTED ACETYLENES BEARING HETEROAROMATIC AND HETEROBICYCLIC GROUPS HAVING RETINOID-LIKE ACTIVITY | ALLERGAN (US) | 1996-04-25 | — | — | WO | disclosed |