Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.55 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HTR3A | P46098 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ABAT | P80404 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 3/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL2617270 | 0.88 | TAAR1 (0.61) | TAAR1SLC6A2OPRK1SLC7A5ABAT | |
| SCHEMBL22153161 | 0.83 | OPRK1 (0.62) | TAAR1SLC6A2OPRK1KDM4EALDH1A1 | |
| SCHEMBL8503457 | 0.83 | OPRK1 (0.62) | TAAR1SLC6A2OPRK1KDM4EALDH1A1 | |
| SCHEMBL4399959 | 0.82 | ESR1 (0.59) | TAAR1SLC6A2OPRK1SLC7A5ESR1 | |
| SCHEMBL21067958 | 0.82 | TAAR1 (0.53) | TAAR1SLC6A2OPRK1SLC7A5ABAT | |
| Hydrochloric Acid SCHEMBL18547908 | 0.81 | OPRK1 (0.61) | TAAR1SLC6A2OPRK1KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL8842236 | 0.81 | OPRK1 (0.61) | TAAR1SLC6A2OPRK1KDM4EALDH1A1 | |
| SCHEMBL80783 | 0.80 | TAAR1 (0.61) | TAAR1SLC6A2OPRK1SLC7A5ABAT | |
| SCHEMBL148531 | 0.80 | TAAR1 (0.61) | TAAR1SLC6A2OPRK1SLC7A5ABAT | |
| SCHEMBL2992550 | 0.80 | TAAR1 (0.61) | TAAR1SLC6A2OPRK1SLC7A5ABAT |
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-110387035-B | Demulsifier, preparation method thereof and application thereof in demulsification of thick oil containing asphaltene | 中国石油化工股份有限公司 | 2022-01-04 | — | — | CN | disclosed |