Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8816406 | 0.82 | CYP2C9 (0.41) | CYP2C9CYP2C19HSD11B1CYP2B6ALDH1A1 | |
| SCHEMBL10417036 | 0.76 | CYP2B6 (0.41) | HSD11B1CYP2B6 | |
| SCHEMBL12488715 | 0.74 | CYP2C19 (0.42) | CYP2C9CYP2C19ALDH1A1OPRM1ALOX15 | |
| SCHEMBL28927679 | 0.74 | CYP2C19 (0.52) | CYP2C9CYP2C19HSD11B1CYP2B6OPRM1 | |
| SCHEMBL16594149 | 0.73 | CYP2B6 (0.39) | CYP2C19HSD11B1CYP2B6CYP3A4MAPK1 | |
| SCHEMBL25238069 | 0.73 | CYP2C9 (0.41) | CYP2C9CYP2C19HSD11B1ALDH1A1OPRM1 | |
| SCHEMBL16115090 | 0.72 | GRIN2D (0.39) | OPRM1 | |
| SCHEMBL10618921 | 0.71 | KCNN4 (0.36) | CYP2C9CYP2C19HSD11B1OPRM1OPRK1 | |
| SCHEMBL27656139 | 0.71 | CYP1A2 (0.46) | CYP2C9CYP2C19HSD11B1OPRM1OPRL1 | |
| SCHEMBL2767076 | 0.71 | CES1 (0.41) | CYP2C9CYP2C19HSD11B1ALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5262571-A | Ionization, salt formation, decyclization and esterification | NORTH CAROLINA STATE UNIVERSITY (US) | 1993-11-16 | — | — | US | disclosed |
| WO-1993019029-A1 | CYCLOALKYL-BASED CHIRAL AUXILIARIES AND METHOD OF MAKING THE SAME | NORTH CAROLINA STATE UNIVERSITY (US) | 1993-09-30 | — | — | WO | disclosed |