Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | LMNA | P02545 | 5/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | TOP2A | P11388 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL9301612 | 0.92 | KDM4E (0.46) | ALDH1A1LMNAHSD17B10KDM4EHPGD | |
| SCHEMBL9302040 | 0.85 | KDM4E (0.41) | ALDH1A1LMNAHSD17B10KDM4EHPGD | |
| SCHEMBL9301465 | 0.81 | ALDH1A1 (0.45) | ALDH1A1LMNAHSD17B10KDM4EHPGD | |
| SCHEMBL9302936 | 0.81 | ALDH1A1 (0.43) | ALDH1A1LMNAHSD17B10KDM4EHPGD | |
| SCHEMBL9302904 | 0.80 | ALDH1A1 (0.45) | ALDH1A1LMNAHSD17B10KDM4EHPGD | |
| Hydrochloric Acid SCHEMBL9304165 | 0.80 | ALDH1A1 (0.45) | ALDH1A1LMNAHSD17B10KDM4EHPGD | |
| SCHEMBL9301409 | 0.78 | ALDH1A1 (0.41) | ALDH1A1LMNAHSD17B10KDM4EHPGD | |
| SCHEMBL9301603 | 0.78 | ALDH1A1 (0.41) | ALDH1A1LMNAHSD17B10KDM4EHPGD | |
| SCHEMBL9302687 | 0.77 | ALDH1A1 (0.49) | ALDH1A1LMNAHSD17B10KDM4EHPGD | |
| SCHEMBL9301516 | 0.74 | CASP3 (0.34) | ALDH1A1CYP2C9CASP3CYP3A4CYP2C19 |
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 |