Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | TOP2A | P11388 | 1/20 | 0.39 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL9301963 | 0.90 | ALDH1A1 (0.36) | ALDH1A1KDM4ELMNAHPGDCYP1A2 | |
| SCHEMBL9302877 | 0.88 | GRM5 (0.39) | ALDH1A1HSD17B10KDM4ELMNAHPGD | |
| SCHEMBL9301342 | 0.84 | STS (0.38) | LMNABRD4 | |
| SCHEMBL9302209 | 0.82 | PIK3CD (0.35) | ALDH1A1HSD17B10KDM4ELMNAHPGD | |
| SCHEMBL9303648 | 0.79 | ACE (0.34) | CASP1CHRM4 | |
| SCHEMBL9301465 | 0.79 | ALDH1A1 (0.45) | ALDH1A1HSD17B10KDM4ELMNAHPGD | |
| SCHEMBL9302936 | 0.79 | ALDH1A1 (0.43) | ALDH1A1HSD17B10KDM4ELMNAHPGD | |
| Hydrochloric Acid SCHEMBL9304165 | 0.78 | ALDH1A1 (0.45) | ALDH1A1HSD17B10KDM4ELMNAHPGD | |
| SCHEMBL9301603 | 0.76 | ALDH1A1 (0.41) | ALDH1A1HSD17B10KDM4ELMNAHPGD | |
| SCHEMBL9301409 | 0.76 | ALDH1A1 (0.41) | ALDH1A1HSD17B10KDM4ELMNAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-5283248-A | Bactericides, enzyme inhibitor of DNA-gyrase in bacteria | HOFFMANN-LA ROCHE INC. (US) | 1994-02-01 | — | — | US | disclosed |
| EP-0433648-A1 | Substituted pyrimidobenzimidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1991-06-26 | — | — | EP | disclosed |