Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.67 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.55 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.55 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.55 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.55 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.54 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.54 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.54 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.54 |
| ▸ | P4HB | P07237 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2793637 | 0.89 | ALDH1A1 (0.67) | ACHECYP2D6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16226328 | 0.82 | ACHE (0.63) | ACHEHRH3CYP2D6NPSR1CYP3A4 | |
| Hydrochloric Acid SCHEMBL7440651 | 0.81 | ACHE (0.61) | ACHEHRH3CYP2D6NPSR1CYP3A4 | |
| SCHEMBL9256149 | 0.79 | OPRM1 (0.55) | ACHEHRH3CYP2D6NPSR1CYP3A4 | |
| SCHEMBL2615164 | 0.79 | CYP2D6 (0.79) | ACHEHRH3CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL7440573 | 0.79 | ALDH1A1 (0.56) | ACHECYP2D6CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL2615162 | 0.79 | CYP2D6 (0.79) | ACHEHRH3CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL1138320 | 0.79 | MEN1 (0.79) | CYP2D6CYP2C9CYP2C19OPRM1OPRD1 | |
| SCHEMBL1138318 | 0.79 | MEN1 (0.79) | CYP2D6CYP2C9CYP2C19OPRM1OPRD1 | |
| SCHEMBL16225886 | 0.79 | MEN1 (0.79) | CYP2D6CYP2C9CYP2C19OPRM1OPRD1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1049431-C | Morpholine and thiomorpholine tachykinin receptor antagonists | MERCK & CO INC (US) | 2000-02-16 | — | — | CN | disclosed |
| CN-1087902-A | Morpholine and thiomorpholine tachykinin receptor antagonists | MERCK & CO INC (US) | 1994-06-15 | — | — | CN | disclosed |