Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4D | Q08499 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27390763 | 0.89 | ALDH1A1 (0.49) | PDE4DALDH1A1CYP2D6CYP2C9ALOX15 | |
| SCHEMBL13626343 | 0.79 | ATM (0.47) | ACHE | |
| SCHEMBL19281913 | 0.78 | DRD2 (0.62) | ALDH1A1MAPK1CA1CA2CYP3A4 | |
| SCHEMBL12924515 | 0.76 | CYP3A4 (0.46) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 | |
| SCHEMBL28949968 | 0.75 | CA1 (0.51) | PDE4DCA1CA2RAD52CHRNA7 | |
| SCHEMBL8765937 | 0.74 | DRD2 (0.62) | ALDH1A1MAPTKDM4E | |
| SCHEMBL7339771 | 0.74 | DRD2 (0.62) | ALDH1A1MAPTKDM4E | |
| SCHEMBL7781955 | 0.74 | DRD2 (0.62) | ALDH1A1MAPTKDM4E | |
| SCHEMBL27784442 | 0.73 | MAOA (0.50) | PDE4DALDH1A1CA1CA2MAOA | |
| Hydrochloric Acid SCHEMBL9781826 | 0.73 | DRD2 (0.60) | ALDH1A1MAPTKDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1568368-A1 | Pharmaceutical combination comprising a CDK inhibitor and a VEGF receptor inhibitor | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-08-31 | — | — | EP | claimed |
| CN-102424670-A | Method for synthesizing 3- (3-chloropropyl) -1,3,4, 5-tetrahydro-7, 8-dimethoxy-2H-3-benzazepin-2-ketone | JIANGSU ALPHA PHARMACEUTICAL CO LTD | 2012-04-25 | — | — | CN | disclosed |
| CN-100352806-C | 4-piperidinyl alkylamine derivatives as muscarinic receptor antagonists | HOFFMANN LA ROCHE (CH) | 2007-12-05 | — | — | CN | disclosed |
| EP-1568368-A1 | Pharmaceutical combination comprising a CDK inhibitor and a VEGF receptor inhibitor | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-08-31 | — | — | EP | disclosed |
| CN-1599722-A | 4-piperidinyl alkylamine derivatives as muscarinic receptor antagonists | HOFFMANN LA ROCHE (CH) | 2005-03-23 | — | — | CN | disclosed |