Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16182286 | 1.00 | TSHR (0.33) | TSHRRECQLMEN1CYP2D6KMT2A | |
| SCHEMBL12345489 | 0.77 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL13242721 | 0.77 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL12931748 | 0.76 | KMT2A (0.31) | KMT2AALDH1A1 | |
| SCHEMBL880847 | 0.73 | CYP1A2 (0.33) | — | |
| SCHEMBL880849 | 0.73 | CYP1A2 (0.33) | — | |
| SCHEMBL8101461 | 0.73 | CYP1A2 (0.33) | — | |
| SCHEMBL27614258 | 0.72 | ALDH1A1 (0.33) | TSHRRECQLMEN1CYP2D6KMT2A | |
| SCHEMBL880759 | 0.72 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL10998048 | 0.70 | GAA (0.31) | TSHRRECQLGAA |
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 |
|---|---|---|---|---|---|---|---|
| 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-2433936-A1 | Substituted-quinoxaline-type-piperidine compounds and the uses thereof | Purdue Pharma LP (US) | 2012-03-28 | — | — | EP | disclosed |