Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 7/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.55 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.55 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.52 |
| ▸ | DRD1 | P21728 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL7448448 | 0.98 | L3MBTL3 (0.54) | CYP2D6KCNH2CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL7444399 | 0.94 | CYP2D6 (0.53) | CYP2D6KCNH2CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL5267415 | 0.88 | CYP2D6 (0.68) | CYP2D6KCNH2CYP3A4CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL31327366 | 0.86 | CYP2D6 (0.65) | CYP2D6KCNH2CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL2054235 | 0.86 | CYP2D6 (0.67) | CYP2D6KCNH2CYP3A4CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL16107427 | 0.84 | CYP2D6 (0.64) | CYP2D6KCNH2CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL7447755 | 0.82 | MEN1 (0.79) | CYP2D6KCNH2CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL7440573 | 0.82 | ALDH1A1 (0.56) | CYP2D6KCNH2CYP3A4CYP2C19KCNA5 | |
| SCHEMBL1502253 | 0.82 | CYP2D6 (0.65) | CYP2D6KCNH2CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL10661275 | 0.79 | CHRM2 (0.53) | CYP2D6KCNH2KMT2AKDM4EMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0993448-A1 | (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 2000-04-19 | — | — | EP | disclosed |
| WO-1998057934-A1 | (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-12-23 | — | — | WO | disclosed |