Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 5/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CFTR | P13569 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL6839010 | 0.87 | ALDH1A1 (0.46) | ALDH1A1HSD17B10KDM4EPOLBCYP1A2 | |
| SCHEMBL6046923 | 0.87 | TSHR (0.44) | ALDH1A1KDM4ETSHRCES2CES1 | |
| SCHEMBL10791012 | 0.80 | TSHR (0.40) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL29175153 | 0.80 | MAOA (0.50) | ALDH1A1TSHRCES2CES1CYP3A4 | |
| SCHEMBL7923699 | 0.80 | NAAA (0.49) | ALDH1A1KDM4ETSHRCES2CES1 | |
| SCHEMBL24385024 | 0.79 | ALDH1A1 (0.48) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL7920797 | 0.79 | TSHR (0.39) | ALDH1A1KDM4ETSHRCES2CES1 | |
| SCHEMBL27268186 | 0.79 | HPGD (0.49) | ALDH1A1TSHRCES2CES1CYP3A4 | |
| SCHEMBL312279 | 0.79 | ALDH1A1 (0.58) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL28685165 | 0.77 | ALDH1A1 (0.60) | ALDH1A1HSD17B10KDM4EPOLBTSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6235923-B1 | RETINOIDS AND CELL DIFFERENTIATION | ALLERGAN SALES, INC. | 2001-05-22 | — | — | US | disclosed |
| US-6225494-B1 | TREATING SKIN DISORDERS, REDUCED SIDE EFFECTS | ALLERGAN SALES, INC. | 2001-05-01 | — | — | US | disclosed |
| US-6037488-A | COMPOUNDS SUCH AS 4-((4'-ISOPROPOXY-3'-(1-M-TOLYL)VINYL)PHENYLETHYNYL)BENZOIC ACID | ALLERGAN SALES, INC. (US) | 2000-03-14 | — | — | US | disclosed |
| EP-0975573-A1 | TRISUBSTITUTED PHENYL DERIVATIVES HAVING RETINOID AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY | Allergan Sales, Inc. (US) | 2000-02-02 | — | — | EP | disclosed |
| WO-1998047854-A1 | TRISUBSTITUTED PHENYL DERIVATIVES HAVING RETINOID AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY | ALLERGAN SALES, INC. (US) | 1998-10-29 | — | — | WO | disclosed |