Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.58 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | CNR1 | P21554 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.51 |
| ▸ | CCR2 | P41597 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8771374 | 0.89 | CYP2C19 (0.69) | ALDH1A1EPHX2CYP2C19SMN1; SMN2 | |
| SCHEMBL9410255 | 0.82 | ALDH1A1 (0.59) | ALDH1A1HTR4EPHX2CYP2C19CNR1 | |
| SCHEMBL26758003 | 0.81 | LMNA (0.60) | ALDH1A1HTR4CYP2C19SMN1; SMN2 | |
| SCHEMBL27985765 | 0.81 | ALDH1A1 (0.62) | ALDH1A1HTR4 | |
| SCHEMBL11554175 | 0.80 | CYP2C19 (0.81) | ALDH1A1EPHX2CYP2C19SMN1; SMN2 | |
| SCHEMBL11277010 | 0.80 | KDM4E (0.61) | ALDH1A1HTR4 | |
| SCHEMBL3543948 | 0.79 | ALDH1A1 (0.65) | ALDH1A1HTR4SMN1; SMN2CACNA1G | |
| SCHEMBL10705234 | 0.79 | CDK1 (0.57) | ALDH1A1 | |
| SCHEMBL7813262 | 0.77 | RECQL (0.68) | ALDH1A1CNR1 | |
| SCHEMBL19359526 | 0.77 | TNKS (0.50) | ALDH1A1CYP2C19CCR2 |
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-0620218-B1 | 2, 3-Dihydro-4(1H)-quinazolinones active in gastro-intestinal pathologies | ALFA WASSERMANN SPA (IT) | 1997-10-01 | — | — | EP | disclosed |
| US-5446152-A | Antiemetic agent | ALFA WASSERMANN S.P.A. (IT) | 1995-08-29 | — | — | US | disclosed |
| EP-0620218-A1 | Heterocyclic compounds active in gastro-intestinal pathologies | ALFA WASSERMANN S.p.A. (IT) | 1994-10-19 | — | — | EP | disclosed |