Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL890759 | 0.82 | KDM4E (0.46) | ALDH1A1CYP1A2TDP1APPLMNA | |
| SCHEMBL29367596 | 0.82 | KDM4E (0.46) | ALDH1A1CYP1A2TDP1APPLMNA | |
| SCHEMBL23222069 | 0.80 | CYP1A2 (0.66) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2B | |
| SCHEMBL29708563 | 0.80 | CYP1A2 (0.72) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2B | |
| SCHEMBL8569016 | 0.80 | ALDH1A1 (0.67) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2B | |
| SCHEMBL864648 | 0.80 | CYP1A2 (0.72) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2B | |
| Benzene SCHEMBL22129849 | 0.79 | KDM4E (0.44) | ALDH1A1TDP1LMNAKDM4EMAPT | |
| SCHEMBL10386552 | 0.78 | CYP1A2 (0.76) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2B | |
| Hydrochloric Acid SCHEMBL11206646 | 0.78 | ALDH1A1 (0.64) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2B | |
| SCHEMBL10387995 | 0.78 | CYP1A2 (0.76) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2302010-B1 | Ink composition and method of producing a processed product of printed matter | FUJIFILM CORP (JP) | 2017-09-13 | — | — | EP | disclosed |
| WO-2014186571-A1 | BENZOXAZOLE-BASED MATERIALS FOR VULCANIZATION ACCELERATOR APPLICATIONS | THE UNIVERSITY OF AKRON (US) | 2014-11-20 | — | — | WO | disclosed |