Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 2/20 | 0.30 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.30 |
| ▸ | ABHD5 | Q8WTS1 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6278754 | 0.79 | TSHR (0.36) | CYP3A4TSHRHSP90AA1ALDH1A1MAPT | |
| SCHEMBL6279660 | 0.77 | HPGD (0.34) | CYP3A4TSHRALDH1A1MAPTKDM4E | |
| SCHEMBL6278644 | 0.76 | TSHR (0.35) | CYP3A4TSHRALDH1A1MAPTKDM4E | |
| SCHEMBL6278643 | 0.76 | TSHR (0.35) | CYP3A4TSHRALDH1A1MAPTKDM4E | |
| SCHEMBL6511266 | 0.75 | CYP3A4 (0.47) | CYP3A4HSP90AA1KDM4EPPARAPPARG | |
| SCHEMBL6511105 | 0.75 | CYP3A4 (0.47) | CYP3A4HSP90AA1KDM4EPPARAPPARG | |
| SCHEMBL6363697 | 0.74 | TSHR (0.33) | CYP3A4TSHRALDH1A1MAPTKDM4E | |
| SCHEMBL6363693 | 0.74 | TSHR (0.33) | CYP3A4TSHRALDH1A1MAPTKDM4E | |
| SCHEMBL6279817 | 0.73 | HNF4A (0.33) | CYP3A4TSHRALDH1A1MAPTKDM4E | |
| SCHEMBL6279811 | 0.73 | HNF4A (0.33) | CYP3A4TSHRALDH1A1MAPTKDM4E |
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-2005042509-A1 | 7-`(7-ALKOXY)-CHROM-3-EN-6-YL!-HEPTATRIENOIC ACID AND 7-`(3ALKOXY)-5,6-DIHYDRONAPHTHALEN-2-YL!-HEPTATRIENOIC ACID DERIVATIVES MODULATORS | ALLERGAN, INC. (US) | 2005-05-12 | — | — | WO | disclosed |