Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.41 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9565364 | 0.82 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2HPGDTP53KDM4E | |
| SCHEMBL9565323 | 0.80 | HSD17B10 (0.45) | ALDH1A1SMN1; SMN2HPGDTP53KDM4E | |
| SCHEMBL7440831 | 0.78 | CYP2A6 (0.44) | ALDH1A1CYP2A6MAPK1NPC1CYP1A2 | |
| SCHEMBL9565317 | 0.73 | SMN1; SMN2 (0.49) | ALDH1A1SMN1; SMN2HPGDTP53KDM4E | |
| SCHEMBL13830263 | 0.69 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2HPGDTP53KDM4E | |
| SCHEMBL29384483 | 0.69 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2HPGDTP53KDM4E | |
| SCHEMBL23262453 | 0.68 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2HPGDTP53KDM4E | |
| SCHEMBL12413787 | 0.66 | MKNK1 (0.61) | ALDH1A1CYP2A6CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7435148 | 0.66 | PDGFRB (0.49) | ALDH1A1HPGDMAPTCYP2A6KMT2A | |
| SCHEMBL13873018 | 0.66 | MKNK1 (0.49) | ALDH1A1CYP2A6CYP1A2CYP3A4CYP19A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0543245-A1 | Renin inhibiting amino acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1993-05-26 | — | — | EP | disclosed |