Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 3/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23740191 | 1.00 | MAOA (0.47) | MAOAMAOBSIGMAR1OPRM1OPRL1 | |
| SCHEMBL20104811 | 1.00 | MAOA (0.47) | MAOAMAOBSIGMAR1OPRM1OPRL1 | |
| SCHEMBL20104812 | 1.00 | MAOA (0.47) | MAOAMAOBSIGMAR1OPRM1OPRL1 | |
| SCHEMBL20104805 | 0.98 | SIGMAR1 (0.47) | MAOAMAOBSIGMAR1OPRM1OPRL1 | |
| SCHEMBL20198587 | 0.95 | MAOB (0.47) | MAOAMAOBSIGMAR1OPRM1OPRL1 | |
| SCHEMBL20104682 | 0.95 | MAOB (0.47) | MAOAMAOBSIGMAR1OPRM1OPRL1 | |
| SCHEMBL1824162 | 0.87 | MAOA (0.50) | MAOAMAOBSIGMAR1HTR2A | |
| SCHEMBL20104705 | 0.87 | MAOA (0.50) | MAOAMAOBSIGMAR1HTR2A | |
| SCHEMBL21058274 | 0.87 | MAOA (0.50) | MAOAMAOBSIGMAR1HTR2A | |
| SCHEMBL20104706 | 0.87 | MAOA (0.50) | MAOAMAOBSIGMAR1HTR2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3327603-A1 | METHOD AND DEVICE FOR CALCULATING ACID DISSOCIATION CONSTANT, AND PROGRAM | Fujitsu Limited (JP) | 2018-05-30 | — | — | EP | disclosed |