Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 1.00 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.52 |
| ▸ | ABAT | P80404 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | TYR | P14679 | 1/20 | 0.52 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.48 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.48 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.46 |
| ▸ | FBP1 | P09467 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29171 | 1.00 | — | — | |
| P-Xylene SCHEMBL10939332 | 1.00 | CYP2A6 (1.00) | CYP2A6HSD17B10ALDH5A1ABATALDH1A1 | |
| SCHEMBL28981619 | 0.97 | CYP2A6 (0.94) | CYP2A6HSD17B10ALDH5A1ABATALDH1A1 | |
| Iodide SCHEMBL34461933 | 0.97 | CYP2A6 (0.94) | CYP2A6HSD17B10ALDH5A1ABATALDH1A1 | |
| SCHEMBL585055 | 0.97 | CYP2A6 (0.94) | CYP2A6HSD17B10ALDH5A1ABATALDH1A1 | |
| SCHEMBL28788188 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL14686576 | 0.97 | CYP2A6 (0.94) | CYP2A6HSD17B10ALDH5A1ABATALDH1A1 | |
| SCHEMBL586152 | 0.97 | CYP2A6 (0.94) | CYP2A6HSD17B10ALDH5A1ABATALDH1A1 | |
| SCHEMBL586330 | 0.97 | CYP2A6 (0.94) | CYP2A6HSD17B10ALDH5A1ABATALDH1A1 | |
| Water SCHEMBL28202451 | 0.97 | CYP2A6 (0.94) | CYP2A6HSD17B10ALDH5A1ABATALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5874443-A | BIOSYNTHESIS | TREGA BIOSCIENCES, INC. (US) | 1999-02-23 | — | — | US | disclosed |