Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 2/20 | 0.36 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.36 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 5/20 | 0.34 |
| ▸ | CTSS | P25774 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21548093 | 1.00 | ITGA4 (0.36) | ITGA4ITGB7PDCD1CD274CYP1A2 | |
| SCHEMBL27926587 | 0.84 | CTSK (0.39) | CTSKCTSSTDP1CA1CA2 | |
| SCHEMBL7365479 | 0.84 | CTSK (0.39) | CTSKCTSSTDP1CA1CA2 | |
| SCHEMBL8328454 | 0.83 | ITGA4 (0.35) | ITGA4ITGB7CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL25455581 | 0.81 | MAPK1 (0.36) | ITGA4ITGB7CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL853630 | 0.81 | GGT1 (0.38) | ITGA4ITGB7PDCD1CD274CYP1A2 | |
| SCHEMBL27922427 | 0.81 | NPSR1 (0.46) | CYP1A2CYP2C9CYP2C19CTSKCTSS | |
| SCHEMBL853631 | 0.81 | GGT1 (0.38) | ITGA4ITGB7PDCD1CD274CYP1A2 | |
| SCHEMBL27922423 | 0.81 | NPSR1 (0.46) | CYP1A2CYP2C9CYP2C19CTSKCTSS | |
| Hydrochloric Acid SCHEMBL320059 | 0.80 | NPSR1 (0.45) | CYP1A2CYP2C9CYP2C19CTSKCTSS |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3101018-A1 | SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF | Purdue Pharma L.P. (US) | 2016-12-07 | — | — | EP | disclosed |
| EP-2433937-B1 | Substituted-quinoxaline-type-piperidine compounds and the uses thereof | PURDUE PHARMA LP (US) | 2016-06-29 | — | — | EP | disclosed |
| EP-2433935-A1 | Substituted-quinoxaline-type-piperidine compounds and the uses thereof | Purdue Pharma LP (US) | 2012-03-28 | — | — | EP | disclosed |
| EP-2433937-A1 | Substituted-quinoxaline-type-piperidine compounds and the uses thereof | Purdue Pharma LP (US) | 2012-03-28 | — | — | EP | disclosed |
| EP-2433936-A1 | Substituted-quinoxaline-type-piperidine compounds and the uses thereof | Purdue Pharma LP (US) | 2012-03-28 | — | — | EP | disclosed |
| WO-2009027820-A2 | SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF | PURDUE PHARMA L.P. (DE) | 2009-03-05 | — | — | WO | disclosed |