Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.40 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL10580910 | 0.96 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL2127289 | 0.96 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL10579548 | 0.95 | KDM4E (0.45) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL30954270 | 0.95 | KDM4E (0.45) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL10579678 | 0.93 | KDM4E (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL10583531 | 0.93 | KDM4E (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL10763023 | 0.93 | KDM4E (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL10580858 | 0.93 | KDM4E (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL10580574 | 0.93 | KDM4E (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL10580483 | 0.93 | KDM4E (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4346015-A | Method of improving antiwear properties of high temperature hydrocarbon compositions | UNION CARBIDE CORPORATION (US) | 1982-08-24 | — | — | US | disclosed |
| US-4097393-A | ENDCAPPED POLYDIMETHYLSILOXANE, BRAKE FLUIDS | UNION CARBIDE CORPORATION (US) | 1978-06-27 | — | — | US | disclosed |
| US-4060519-A | POLY(OXYALKYLENE)-POLYESTER-POLY(MONOSULFIDE) POLYTHIOL, NAPHTHALENE, CURING | PHILLIPS PETROLEUM COMPANY (US) | 1977-11-29 | — | — | US | disclosed |