Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.53 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.53 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.52 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.51 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MC4R | P32245 | 1/20 | 0.43 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8002376 | 0.98 | CYP2D6 (0.52) | CYP2D6CYP1A2CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL13039134 | 0.80 | CYP2D6 (0.57) | CYP2D6CYP1A2CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL14269710 | 0.78 | KCNA5 (0.73) | CYP2D6CYP1A2CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL9682494 | 0.78 | CYP2D6 (0.46) | CYP2D6CYP1A2CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL18901676 | 0.77 | CYP2C19 (0.70) | CYP2D6CYP1A2CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL2712368 | 0.77 | CYP2D6 (0.54) | CYP2D6CYP1A2CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL21093474 | 0.77 | CYP2D6 (0.54) | CYP2D6CYP1A2CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL21758873 | 0.77 | CYP2D6 (0.54) | CYP2D6CYP1A2CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL523547 | 0.77 | CYP2D6 (0.54) | CYP2D6CYP1A2CYP2C19CYP3A4CYP2C9 | |
| SCHEMBL597166 | 0.77 | CYP2D6 (0.54) | CYP2D6CYP1A2CYP2C19CYP3A4CYP2C9 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0973737-A4 | EFFICIENT SYNTHESIS OF A CHIRAL MEDIATOR | MERCK & CO INC (US) | 2000-04-26 | — | — | EP | claimed |
| EP-0973737-A1 | EFFICIENT SYNTHESIS OF A CHIRAL MEDIATOR | Merck & Co., Inc. (US) | 2000-01-26 | — | — | EP | claimed |
| WO-1998030540-A1 | EFFICIENT SYNTHESIS OF A CHIRAL MEDIATOR | MERCK & CO., INC. (US) | 1998-07-16 | — | — | WO | claimed |
| EP-0973737-A4 | EFFICIENT SYNTHESIS OF A CHIRAL MEDIATOR | MERCK & CO INC (US) | 2000-04-26 | — | — | EP | disclosed |
| EP-0973737-A1 | EFFICIENT SYNTHESIS OF A CHIRAL MEDIATOR | Merck & Co., Inc. (US) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998030540-A1 | EFFICIENT SYNTHESIS OF A CHIRAL MEDIATOR | MERCK & CO., INC. (US) | 1998-07-16 | — | — | WO | disclosed |