Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 3/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.45 |
| ▸ | AGER | Q15109 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5935090 | 0.86 | CNR2 (0.57) | CNR2TDP1ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL8213964 | 0.84 | CNR2 (0.55) | CNR2TDP1ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL17799150 | 0.79 | CNR2 (0.54) | CNR2TDP1SERPINE1ALDH1A1CYP3A4 | |
| SCHEMBL8724213 | 0.79 | CNR2 (0.50) | CNR2AGERMAPTMCOLN3GLA | |
| SCHEMBL9938680 | 0.77 | ALDH1A1 (0.71) | ALDH1A1CYP3A4CYP2C9CYP2C19MCHR1 | |
| SCHEMBL31561797 | 0.77 | ALDH1A1 (0.71) | ALDH1A1CYP3A4CYP2C9CYP2C19MCHR1 | |
| SCHEMBL5692892 | 0.76 | CNR2 (0.45) | CNR2TDP1SERPINE1KEAP1NFE2L2 | |
| SCHEMBL8981419 | 0.75 | CYP2C9 (0.48) | TDP1ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL18986533 | 0.75 | LMNA (0.55) | ALDH1A1CYP3A4CYP2C9CYP2C19MCHR1 | |
| SCHEMBL28962150 | 0.75 | ALDH1A1 (0.74) | ALDH1A1CYP3A4CYP2C9CYP2C19MCHR1 |
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-3390344-A1 | IMPROVED METHOD FOR SYNTHESISING PARTIALLY N-HYDROXYETHYLATED TERTIARY 1,6-HEXANEDIAMINES | IFP Energies nouvelles (FR) | 2018-10-24 | — | — | EP | disclosed |