Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALPL | P05186 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | BUB1 | O43683 | 17/20 | 0.52 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.46 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8490579 | 0.83 | BUB1 (0.56) | BUB1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL8493929 | 0.82 | BUB1 (0.48) | ALPLCYP3A4CYP2C9HPGDCYP2C19 | |
| SCHEMBL8489982 | 0.81 | BUB1 (0.54) | BUB1 | |
| SCHEMBL8490091 | 0.80 | BUB1 (0.53) | BUB1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL8490734 | 0.78 | BUB1 (0.51) | BUB1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL8489551 | 0.78 | GABRA1 (0.54) | BUB1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL8494007 | 0.78 | BUB1 (0.51) | BUB1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL7667896 | 0.78 | BUB1 (0.48) | HPGDBUB1GABRA1GABRG2GABRB3 | |
| SCHEMBL8496265 | 0.78 | BUB1 (0.79) | BUB1 | |
| SCHEMBL8494310 | 0.75 | BUB1 (0.48) | BUB1GABRA1GABRG2GABRB3GABRA5 |
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-1999062899-A1 | TETRAHYDROINDOLONE DERIVATIVES AS GABAAALPHA5 LIGANDS FOR ENHANCING COGNITION | MERCK SHARP & DOHME LIMITED (GB) | 1999-12-09 | — | — | WO | disclosed |