Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.47 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL87432 | 0.86 | GBA1 (0.47) | GBA1FUCA1CYP2D6S1PR5S1PR1 | |
| SCHEMBL63432 | 0.85 | FUCA1 (0.58) | GBA1FUCA1CYP2D6S1PR5S1PR1 | |
| SCHEMBL51716 | 0.85 | FUCA1 (0.58) | GBA1FUCA1CYP2D6S1PR5S1PR1 | |
| SCHEMBL62324 | 0.83 | GBA1 (0.45) | GBA1FUCA1CYP2D6S1PR5S1PR1 | |
| SCHEMBL51885 | 0.83 | GBA1 (0.45) | GBA1FUCA1CYP2D6S1PR5S1PR1 | |
| SCHEMBL51884 | 0.83 | GBA1 (0.45) | GBA1FUCA1CYP2D6S1PR5S1PR1 | |
| SCHEMBL52572 | 0.83 | GBA1 (0.45) | GBA1FUCA1CYP2D6S1PR5S1PR1 | |
| SCHEMBL27704477 | 0.83 | FUCA1 (0.55) | GBA1FUCA1CYP2D6S1PR5S1PR1 | |
| SCHEMBL3582865 | 0.83 | FUCA1 (0.63) | GBA1FUCA1CYP2D6S1PR5S1PR1 | |
| SCHEMBL27783472 | 0.79 | HRH3 (0.53) | FUCA1S1PR5S1PR1ACHE |
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-2009117540-A1 | BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-09-24 | — | — | WO | disclosed |