Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 2/20 | 0.35 |
| ▸ | CTSB | P07858 | 2/20 | 0.35 |
| ▸ | CTSK | P43235 | 2/20 | 0.35 |
| ▸ | CTSV | O60911 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSC | P53634 | 1/20 | 0.35 |
| ▸ | CTSF | Q9UBX1 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23645508 | 1.00 | SIGMAR1 (0.39) | SIGMAR1CYP3A4CYP2C9CYP2C19RECQL | |
| SCHEMBL30291320 | 0.78 | OPRM1 (0.41) | SIGMAR1CYP2C9CYP2C19OPRM1OPRL1 | |
| SCHEMBL23668800 | 0.78 | OPRM1 (0.41) | SIGMAR1CYP2C9CYP2C19OPRM1OPRL1 | |
| SCHEMBL23645063 | 0.78 | OPRM1 (0.38) | SIGMAR1CYP3A4CYP2C19OPRM1OPRL1 | |
| SCHEMBL30291417 | 0.78 | CYP3A4 (0.36) | CYP3A4CYP2C9CYP2C19RECQLNPSR1 | |
| SCHEMBL23645522 | 0.77 | OPRM1 (0.40) | SIGMAR1CYP2C9CYP2C19OPRM1OPRL1 | |
| SCHEMBL30291243 | 0.77 | OPRM1 (0.40) | SIGMAR1CYP2C9CYP2C19OPRM1OPRL1 | |
| SCHEMBL23644320 | 0.76 | OPRM1 (0.39) | SIGMAR1CYP2C9CYP2C19OPRM1OPRL1 | |
| SCHEMBL30291422 | 0.76 | OPRM1 (0.39) | SIGMAR1CYP2C9CYP2C19OPRM1OPRL1 | |
| SCHEMBL23645494 | 0.75 | HDAC4 (0.41) | SIGMAR1OPRM1OPRL1DPP4CTSL |
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 |
|---|---|---|---|---|---|---|---|
| CN-113087700-B | Spirocyclic tetrahydroquinazolines | 苏州亚盛药业有限公司 | 2023-03-14 | — | — | CN | disclosed |