Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CFTR | P13569 | 2/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | GLS | O94925 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL14473089 | 1.00 | IDO1 (0.36) | IDO1TDO2HTTCFTROPRL1 | |
| SCHEMBL3375814 | 0.86 | IDO1 (0.43) | IDO1TDO2HTTCFTROPRL1 | |
| SCHEMBL5117761 | 0.86 | IDO1 (0.43) | IDO1TDO2HTTCFTROPRL1 | |
| SCHEMBL11604556 | 0.86 | IDO1 (0.43) | IDO1TDO2HTTCFTROPRL1 | |
| SCHEMBL3372946 | 0.86 | IDO1 (0.43) | IDO1TDO2HTTCFTROPRL1 | |
| SCHEMBL13068682 | 0.86 | GABRA1 (0.35) | ALDH1A1CYP2C19CYP3A4ALOX15CYP2C9 | |
| SCHEMBL5117680 | 0.86 | IDO1 (0.43) | IDO1TDO2HTTCFTROPRL1 | |
| SCHEMBL14472956 | 0.82 | CYP2C19 (0.47) | IDO1TDO2HTTHSD11B1ALDH1A1 | |
| SCHEMBL11602065 | 0.76 | IDO1 (0.50) | IDO1TDO2OPRL1ALDH1A1CYP2C19 | |
| SCHEMBL3551469 | 0.76 | HTT (0.43) | IDO1TDO2HTTCFTRALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1966188-B1 | ENANTIOSELECTIVE PREPARATION OF BENZIMIDAZOLE DERIVATIVES AND THEIR SALTS | RATIOPHARM GMBH (DE) | 2010-11-03 | — | — | EP | disclosed |
| WO-2007079784-A1 | ENANTIOSELECTIVE PREPARATION OF BENZIMIDAZOLE DERIVATIVES AND THEIR SALTS | RATIOPHARM GMBH (DE) | 2007-07-19 | — | — | WO | disclosed |