Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ACP3 | P15309 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9515044 | 0.80 | EPHX1 (0.41) | SMN1; SMN2ALDH1A1ATMCHRM3CES2 | |
| SCHEMBL9515054 | 0.80 | EPHX1 (0.41) | SMN1; SMN2ALDH1A1ATMCHRM3CES2 | |
| SCHEMBL6737288 | 0.79 | PDPK1 (0.47) | POLBACP3TACR1SLC6A9 | |
| SCHEMBL1043810 | 0.76 | CES2 (0.49) | SMN1; SMN2CYP3A4CYP1A2CYP2C9MEN1 | |
| SCHEMBL30836057 | 0.76 | CES2 (0.49) | SMN1; SMN2CYP3A4CYP1A2CYP2C9MEN1 | |
| SCHEMBL21382300 | 0.76 | EPHX1 (0.53) | SMN1; SMN2CYP3A4CYP1A2CYP2C9MEN1 | |
| SCHEMBL3964941 | 0.75 | SMN1; SMN2 (0.48) | SMN1; SMN2CYP3A4CYP1A2CYP2C9MEN1 | |
| SCHEMBL16024763 | 0.75 | CES2 (0.48) | SMN1; SMN2CYP3A4CYP1A2CYP2C9MEN1 | |
| SCHEMBL7058688 | 0.75 | CES2 (0.46) | SMN1; SMN2CYP3A4CYP1A2CYP2C9MEN1 | |
| SCHEMBL21399776 | 0.74 | EPHX1 (0.49) | SMN1; SMN2CYP3A4CYP1A2CYP2C9MEN1 |
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-0212340-B1 | 2-(heteroalkyl)-1,4-dihydropyridines, process for their preparations and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA (IT) | 1993-10-27 | — | — | EP | disclosed |
| US-4839348-A | HYPOTENSIVE AGENTS; ANTICOAGULANTS, ANTIISCHEMIC AGENTS | BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) | 1989-06-13 | — | — | US | disclosed |
| EP-0212340-A1 | 2-(heteroalkyl)-1,4-dihydropyridines, process for their preparations and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1987-03-04 | — | — | EP | disclosed |