Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 4/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | DRD5 | P21918 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.35 |
| ▸ | ABAT | P80404 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6030003 | 1.00 | DRD1 (0.38) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL28902120 | 0.85 | ALDH1A1 (0.38) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL29418199 | 0.82 | ALDH1A1 (0.42) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL12459069 | 0.81 | PLA2G7 (0.42) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL12458455 | 0.81 | ALDH1A1 (0.47) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL2479814 | 0.81 | TDP1 (0.50) | HSD17B10TDP1ALDH1A1CYP3A4NPC1 | |
| SCHEMBL30075769 | 0.81 | TDP1 (0.50) | HSD17B10TDP1ALDH1A1CYP3A4NPC1 | |
| SCHEMBL6571378 | 0.81 | ALDH1A1 (0.42) | HSD17B10RELATDP1ALDH1A1CYP3A4 | |
| SCHEMBL6574474 | 0.80 | CA12 (0.45) | CYP2A6TDP1ALDH1A1CYP3A4NPC1 | |
| Hydrochloric Acid SCHEMBL6571929 | 0.79 | TDP1 (0.48) | HSD17B10TDP1ALDH1A1CYP3A4NPC1 |
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-2022191865-A1 | HAIR COLORANT ASSESSMENT, SELECTION AND FORMULATION SYSTEM | Innovative Beauty LLC (US) | 2022-09-15 | — | — | WO | disclosed |