Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.42 |
| ▸ | ABAT | P80404 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.35 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1109066 | 0.93 | CYP2A6 (0.48) | CYP2A6HSD17B10ALDH5A1ABATALDH1A1 | |
| SCHEMBL27251960 | 0.82 | ALDH1A1 (0.50) | HSD17B10ALDH1A1TSHRTP53MAPK1 | |
| SCHEMBL27335985 | 0.82 | CYP2A6 (0.58) | DRD1CYP2A6HSD17B10ALDH5A1ABAT | |
| SCHEMBL976904 | 0.82 | CYP2A6 (0.58) | DRD1CYP2A6HSD17B10ALDH5A1ABAT | |
| SCHEMBL25288128 | 0.82 | CYP2A6 (0.58) | DRD1CYP2A6HSD17B10ALDH5A1ABAT | |
| SCHEMBL10887099 | 0.82 | ALDH1A1 (0.50) | HSD17B10ALDH1A1TSHRTP53MAPK1 | |
| SCHEMBL1666706 | 0.82 | CYP2A6 (0.58) | DRD1CYP2A6HSD17B10ALDH5A1ABAT | |
| SCHEMBL12669932 | 0.80 | PARP10 (0.52) | DRD1CYP2A6HSD17B10ALDH5A1ABAT | |
| Hydrochloric Acid SCHEMBL11476850 | 0.79 | CYP2A6 (0.55) | DRD1CYP2A6HSD17B10ALDH5A1ABAT | |
| Hydrochloric Acid SCHEMBL7799271 | 0.79 | CYP2A6 (0.55) | DRD1CYP2A6HSD17B10ALDH5A1ABAT |
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-2022149617-A1 | COMPOUND LIBRARY | 中外製薬株式会社 | 2022-07-14 | — | — | WO | disclosed |