Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CA1 | P00915 | 6/20 | 0.51 |
| ▸ | CA2 | P00918 | 6/20 | 0.51 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 3/20 | 0.46 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.44 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.44 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.44 |
| ▸ | GBA1 | P04062 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL24521598 | 0.84 | CYP3A4 (0.58) | CYP3A4CA1CA2BCHECHRM2 | |
| SCHEMBL4023980 | 0.84 | KCNA5 (0.51) | CA1BCHECA12 | |
| SCHEMBL14102774 | 0.83 | CYP3A4 (0.75) | CYP3A4CA1CA2TDP1MAPT | |
| SCHEMBL9116823 | 0.81 | CYP3A4 (0.54) | CYP3A4CA1CA2BCHECHRM2 | |
| SCHEMBL6290071 | 0.80 | CYP3A4 (0.56) | CYP3A4CA1CA2BCHECHRM2 | |
| SCHEMBL9118033 | 0.80 | CYP3A4 (0.67) | CYP3A4CA1CA2TDP1MAPT | |
| SCHEMBL20777604 | 0.79 | NQO2 (0.56) | BCHETDP1DRD2 | |
| SCHEMBL7207224 | 0.78 | TDP1 (0.69) | CYP3A4CA1CA2TDP1CA12 | |
| SCHEMBL4889499 | 0.77 | CA1 (0.65) | CYP3A4CA1CA2 | |
| SCHEMBL4837793 | 0.77 | CA1 (0.63) | CYP3A4CA1CA2GBA1 |
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-1995017888-A1 | PHENYLMETHYL HEXANAMIDES, AND THE USE THEREOF | SMITHKLINE BEECHAM CORPORATION (US) | 1995-07-06 | — | — | WO | disclosed |