Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6583645 | 0.95 | ALDH1A1 (0.35) | ALDH1A1CYP3A4SIGMAR1ABCB11LMNA | |
| SCHEMBL7548982 | 0.86 | CHRM2 (0.38) | ALDH1A1CYP3A4SIGMAR1ABCB11LMNA | |
| SCHEMBL6582020 | 0.80 | NPC1 (0.35) | ALDH1A1LMNAMEN1KMT2ACYP4F2 | |
| SCHEMBL6580481 | 0.79 | POLB (0.33) | ALDH1A1LMNAKMT2ACYP4F2CYP4A11 | |
| SCHEMBL17860704 | 0.78 | ALDH1A1 (0.48) | ALDH1A1LMNATSHRTDP1POLB | |
| SCHEMBL187121 | 0.78 | CYP4F2 (0.45) | ALDH1A1CYP3A4SIGMAR1ABCB11LMNA | |
| SCHEMBL2289682 | 0.77 | SMN1; SMN2 (0.44) | ALDH1A1LMNAKCNH2HSD17B10MEN1 | |
| SCHEMBL31050190 | 0.77 | CYP3A4 (0.39) | ALDH1A1CYP3A4SIGMAR1ABCB11LMNA | |
| SCHEMBL186860 | 0.76 | CYP4F2 (0.48) | ALDH1A1MEN1KMT2ACYP4F2CYP4A11 | |
| SCHEMBL1660144 | 0.76 | CYP4F2 (0.42) | ALDH1A1LMNAMEN1MAPK1KMT2A |
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-1154993-B1 | THIOAMIDE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2004-10-06 | — | — | EP | disclosed |
| EP-1154993-A1 | THIOAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-11-21 | — | — | EP | disclosed |
| WO-2000048994-A1 | THIOAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-08-24 | — | — | WO | disclosed |