Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MC4R | P32245 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 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 | |
|---|---|---|---|---|
| SCHEMBL8002386 | 1.00 | MC4R (0.49) | MC4RSLC6A2SLC6A4SLC6A3CHRNA7 | |
| Hydrochloric Acid SCHEMBL8017961 | 0.98 | MC4R (0.48) | MC4RSLC6A2SLC6A4SLC6A3CHRNA7 | |
| Hydrochloric Acid SCHEMBL8002372 | 0.98 | MC4R (0.48) | MC4RSLC6A2SLC6A4SLC6A3CHRNA7 | |
| SCHEMBL20690487 | 0.79 | TACR1 (0.51) | MC4RSLC6A2SLC6A4TACR1CYP2D6 | |
| SCHEMBL29700504 | 0.79 | TACR1 (0.51) | MC4RSLC6A2SLC6A4TACR1CYP2D6 | |
| SCHEMBL16300086 | 0.74 | CYP2C19 (0.51) | MC4RSLC6A4OPRM1OPRK1CYP1A2 | |
| SCHEMBL3583059 | 0.74 | OPRL1 (0.63) | SLC6A2SLC6A4OPRL1CYP1A2CYP2C19 | |
| SCHEMBL8983515 | 0.74 | CYP2D6 (0.45) | MC4RSLC6A2SLC6A4SLC6A3CHRNA7 | |
| SCHEMBL1205831 | 0.74 | OPRL1 (0.63) | SLC6A2SLC6A4OPRL1CYP1A2CYP2C19 | |
| SCHEMBL8507420 | 0.74 | OPRL1 (0.63) | SLC6A2SLC6A4OPRL1CYP1A2CYP2C19 |
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-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 |