Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | APP | P05067 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CRHBP | P24387 | 1/20 | 0.45 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8569016 | 0.82 | ALDH1A1 (0.67) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2B | |
| SCHEMBL29708563 | 0.82 | CYP1A2 (0.72) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2B | |
| SCHEMBL864648 | 0.82 | CYP1A2 (0.72) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2B | |
| SCHEMBL29196915 | 0.81 | KDM4E (0.71) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2B | |
| Potassium SCHEMBL30586884 | 0.80 | CYP1A2 (0.69) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2B | |
| SCHEMBL10386552 | 0.80 | CYP1A2 (0.76) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2B | |
| Hydrochloric Acid SCHEMBL11206646 | 0.80 | ALDH1A1 (0.64) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2B | |
| SCHEMBL10387995 | 0.80 | CYP1A2 (0.76) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2B | |
| SCHEMBL10320418 | 0.79 | CYP1A2 (0.62) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2B | |
| SCHEMBL863708 | 0.78 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2B |
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 |
|---|---|---|---|---|---|---|---|
| CN-106928247-A | Spiral shell oxindole compounds and its purposes as therapeutic agent | 泽农医药公司 | 2017-07-07 | — | — | CN | disclosed |
| CN-102256983-B | Spirooxindole compounds and their use as therapeutic agents | 泽农医药公司 | 2017-04-05 | — | — | CN | disclosed |
| CN-104918941-A | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2015-09-16 | — | — | CN | disclosed |