Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.32 |
| ▸ | SQOR | Q9Y6N5 | 2/20 | 0.32 |
| ▸ | EP300 | Q09472 | 1/20 | 0.32 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.31 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.31 |
| ▸ | FEN1 | P39748 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL638668 | 0.81 | ALDH1A1 (0.45) | ALDH1A1CYP1A2CYP2C19KDM4ESMN1; SMN2 | |
| SCHEMBL637848 | 0.80 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C19KDM4ESMN1; SMN2 | |
| SCHEMBL638669 | 0.80 | KDM4E (0.43) | ALDH1A1CYP1A2CYP2C19KDM4ESMN1; SMN2 | |
| SCHEMBL637849 | 0.80 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP2C19KDM4ESMN1; SMN2 | |
| SCHEMBL7111069 | 0.75 | ALDH1A1 (0.39) | ALDH1A1CYP1A2CYP2C19KDM4ESMN1; SMN2 | |
| SCHEMBL7447549 | 0.75 | MAPT (0.43) | ALDH1A1CYP1A2CYP2C19KDM4ESMN1; SMN2 | |
| SCHEMBL2259297 | 0.71 | ALDH1A1 (0.64) | ALDH1A1CYP1A2CYP2C19KDM4ESMN1; SMN2 | |
| SCHEMBL7107250 | 0.71 | RECQL (0.40) | ALDH1A1CYP1A2CYP2C19KDM4EMAPK1 | |
| SCHEMBL7110679 | 0.70 | PDPK1 (0.38) | ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL7111035 | 0.70 | BRD4 (0.37) | ALDH1A1CYP1A2CYP2C19MAPT |
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-0292840-B1 | Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation | THOMAE GMBH DR K (DE) | 1995-08-09 | — | — | EP | claimed |
| US-5175157-A | Cardiovascular disorders | BOEHRINGER INGELHEIM GMBH (DE) | 1992-12-29 | — | — | US | claimed |
| US-5175157-A | Cardiovascular disorders | BOEHRINGER INGELHEIM GMBH (DE) | 1992-12-29 | — | — | US | disclosed |