Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.73 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.73 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.54 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.54 |
| ▸ | FLT3 | P36888 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 5/20 | 0.51 |
| ▸ | RAB9A | P51151 | 5/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | CASP3 | P42574 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL7099991 | 0.90 | CYP1A2 (0.76) | CYP1A2CYP2A6KDM4EPDGFRBPDGFRA | |
| Acetic Acid SCHEMBL10948260 | 0.89 | CYP1A2 (0.73) | CYP1A2CYP2A6KDM4ENPC1RAB9A | |
| Methyl Alcohol SCHEMBL5664821 | 0.86 | CYP1A2 (0.91) | CYP1A2CYP2A6KDM4ENPC1RAB9A | |
| SCHEMBL29353188 | 0.85 | CYP1A2 (1.00) | CYP1A2CYP2A6KDM4ENPC1RAB9A | |
| SCHEMBL5311432 | 0.85 | CYP1A2 (1.00) | CYP1A2CYP2A6KDM4ENPC1RAB9A | |
| SCHEMBL112792 | 0.85 | CYP1A2 (1.00) | CYP1A2CYP2A6KDM4ENPC1RAB9A | |
| SCHEMBL7109109 | 0.84 | CYP1A2 (0.66) | CYP1A2CYP2A6KDM4ENPC1RAB9A | |
| Formaldehyde SCHEMBL27438517 | 0.84 | CYP2A6 (0.86) | CYP1A2CYP2A6KDM4ENPC1RAB9A | |
| Water SCHEMBL17079094 | 0.83 | CYP1A2 (0.95) | CYP1A2CYP2A6KDM4ENPC1RAB9A | |
| Methane SCHEMBL9286464 | 0.83 | CYP1A2 (0.95) | CYP1A2CYP2A6KDM4ENPC1RAB9A |
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-106290594-A | The method measuring shellfish cholic acid sheet dissolution content difficult to understand | 中美华世通生物医药科技（武汉）有限公司 | 2017-01-04 | — | — | CN | claimed |