Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 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 | |
|---|---|---|---|---|
| SCHEMBL25228387 | 1.00 | GAA (0.40) | GAASIRT3TDP1CYP2A6CYP1A2 | |
| SCHEMBL25224702 | 0.80 | RPS6KA3 (0.40) | CYP3A4CYP2D6 | |
| SCHEMBL13838558 | 0.78 | GAA (0.46) | GAASIRT3TDP1CYP2A6CYP1A2 | |
| SCHEMBL27614983 | 0.77 | TDP1 (0.42) | GAASIRT3TDP1CYP2A6CYP1A2 | |
| SCHEMBL14614970 | 0.76 | GAA (0.44) | GAASIRT3TDP1CYP2A6CYP1A2 | |
| Bromide SCHEMBL27607832 | 0.76 | TDP1 (0.41) | GAASIRT3TDP1CYP2A6CYP1A2 | |
| Bromide SCHEMBL27614984 | 0.76 | TDP1 (0.41) | GAASIRT3TDP1CYP2A6CYP1A2 | |
| SCHEMBL27614985 | 0.74 | SIRT3 (0.35) | GAASIRT3TDP1CYP2A6CYP1A2 | |
| SCHEMBL25225106 | 0.74 | ABCB1 (0.37) | GAA | |
| SCHEMBL25220711 | 0.73 | OPRL1 (0.34) | — |
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-2023107630-A2 | AMINO ALCOHOL COMPOUNDS AND USES THEREOF | Kineta, Inc. (US) | 2023-06-15 | — | — | WO | disclosed |