Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | GPR3 | P46089 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Quinoline SCHEMBL27685815 | 0.92 | ALDH1A1 (0.63) | CYP3A4ALDH1A1LMNANR4A2FKBP5 | |
| Quinoline SCHEMBL2029469 | 0.92 | ALDH1A1 (0.63) | CYP3A4ALDH1A1LMNANR4A2FKBP5 | |
| Quinoline SCHEMBL27877830 | 0.92 | ALDH1A1 (0.63) | CYP3A4ALDH1A1LMNANR4A2FKBP5 | |
| Quinoline SCHEMBL27277627 | 0.92 | ALDH1A1 (0.63) | CYP3A4ALDH1A1LMNANR4A2FKBP5 | |
| Quinoline SCHEMBL27268450 | 0.90 | ALDH1A1 (0.61) | CYP3A4ALDH1A1LMNANR4A2FKBP5 | |
| Quinoline SCHEMBL28232319 | 0.90 | ALDH1A1 (0.61) | CYP3A4ALDH1A1LMNANR4A2FKBP5 | |
| Quinoline SCHEMBL27750058 | 0.90 | ALDH1A1 (0.61) | CYP3A4ALDH1A1LMNANR4A2FKBP5 | |
| Quinoline SCHEMBL27929361 | 0.90 | ALDH1A1 (0.61) | CYP3A4ALDH1A1LMNANR4A2FKBP5 | |
| Quinoline SCHEMBL28126307 | 0.90 | ALDH1A1 (0.61) | CYP3A4ALDH1A1LMNANR4A2FKBP5 | |
| Phenanthrene SCHEMBL1673168 | 0.87 | ALDH1A1 (0.54) | CYP3A4ALDH1A1LMNAFKBP5HTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-103897681-B | A kind of oil gas field corrosion inhibiter and preparation method thereof | 中国石油天然气集团公司 | 2016-06-08 | — | — | CN | claimed |
| CN-103897681-B | A kind of oil gas field corrosion inhibiter and preparation method thereof | 中国石油天然气集团公司 | 2016-06-08 | — | — | CN | disclosed |