Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 4/20 | 0.39 |
| ▸ | CA9 | Q16790 | 4/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | SCD | O00767 | 1/20 | 0.38 |
| ▸ | CPS1 | P31327 | 2/20 | 0.36 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.35 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL22166661 | 1.00 | CYP1A1 (0.41) | CYP1A1CYP1A2CYP1B1AMY1ACA12 | |
| SCHEMBL28700331 | 0.89 | CYP1A1 (0.42) | CYP1A1CYP1A2CYP1B1AMY1ACA12 | |
| SCHEMBL21490371 | 0.89 | CYP1A1 (0.42) | CYP1A1CYP1A2CYP1B1AMY1ACA12 | |
| SCHEMBL21490370 | 0.89 | CYP1A1 (0.42) | CYP1A1CYP1A2CYP1B1AMY1ACA12 | |
| SCHEMBL22166662 | 0.88 | CYP1A2 (0.41) | CYP1A1CYP1A2CYP1B1AMY1ACA12 | |
| SCHEMBL23709920 | 0.87 | NPC1 (0.37) | ALDH1A1 | |
| SCHEMBL27891901 | 0.86 | MAPT (0.48) | CYP1A1CYP1A2CYP1B1MEN1ALDH1A1 | |
| SCHEMBL24113473 | 0.85 | CYP11B1 (0.34) | ALDH1A1KMT2A | |
| SCHEMBL19343270 | 0.85 | SCD (0.38) | SCDTRIM24TYRTRIM33MEN1 | |
| SCHEMBL30008870 | 0.85 | CYP11B1 (0.34) | ALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-109689639-B | Spirolactams as ROCK inhibitors | 百时美施贵宝公司 | 2022-02-18 | — | — | CN | disclosed |