Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.31 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.31 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.31 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7517090 | 0.99 | OPRK1 (0.32) | SIGMAR1OPRK1OPRM1TP53CYP3A4 | |
| Hydrochloric Acid SCHEMBL7512395 | 0.82 | SLC6A2 (0.31) | PMP22SMN1; SMN2 | |
| SCHEMBL7145072 | 0.78 | SCN9A (0.35) | CSNK2A1 | |
| Hydrochloric Acid SCHEMBL7512094 | 0.76 | NUDT1 (0.31) | CSNK2A1METAP2 | |
| SCHEMBL7143023 | 0.76 | P2RX7 (0.32) | CSNK2A1 | |
| SCHEMBL7144413 | 0.76 | SIGMAR1 (0.39) | SIGMAR1OPRK1OPRM1TP53CYP3A4 | |
| SCHEMBL6261214 | 0.76 | OPRK1 (0.34) | SIGMAR1OPRK1OPRM1TP53CYP3A4 | |
| SCHEMBL7144426 | 0.75 | SLC6A2 (0.32) | — | |
| Hydrochloric Acid SCHEMBL7517078 | 0.75 | SIGMAR1 (0.38) | SIGMAR1OPRK1OPRM1TP53CYP3A4 | |
| Hydrochloric Acid SCHEMBL6139583 | 0.75 | OPRK1 (0.35) | SIGMAR1OPRK1OPRM1TP53CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1192122-B1 | BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI SYNTHELABO (FR) | 2003-10-22 | — | — | EP | disclosed |
| EP-1192122-A1 | BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI-SYNTHELABO (FR) | 2002-04-03 | — | — | EP | disclosed |
| WO-2000076953-A1 | BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI-SYNTHELABO (FR) | 2000-12-21 | — | — | WO | disclosed |