Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | XBP1 | P17861 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | DHFR | P00374 | 1/20 | 0.47 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9744953 | 1.00 | ADORA3 (0.53) | ADORA3KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL9833019 | 0.85 | CACNA1C (0.64) | ADORA3KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL9744612 | 0.82 | CACNA1C (0.56) | CACNA1C | |
| SCHEMBL9744605 | 0.82 | CACNA1C (0.56) | CACNA1C | |
| SCHEMBL9744963 | 0.81 | ADORA3 (0.56) | ADORA3KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL9745864 | 0.81 | ADORA3 (0.53) | ADORA3KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL9745862 | 0.80 | ADORA3 (0.49) | ADORA3KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL11520735 | 0.79 | CACNA1C (0.54) | ADORA3KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL9524198 | 0.79 | ADORA3 (0.67) | ADORA3KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL9524206 | 0.79 | ADORA3 (0.67) | ADORA3KDM4EMEN1ALDH1A1MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0215250-B1 | 2-SUBSTITUTED-1,4-DIHYDROPYRIDINES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1992-12-30 | — | — | EP | claimed |
| US-4845113-A | USEFUL IN RADICAL SCAVENGING THERAPY | BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) | 1989-07-04 | — | — | US | claimed |
| EP-0215250-B1 | 2-SUBSTITUTED-1,4-DIHYDROPYRIDINES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1992-12-30 | — | — | EP | disclosed |
| US-4845113-A | USEFUL IN RADICAL SCAVENGING THERAPY | BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) | 1989-07-04 | — | — | US | disclosed |