Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 2/20 | 0.42 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28473283 | 0.84 | CYP2D6 (0.55) | CYP2D6MAPTSMN1; SMN2NPC1HPGD | |
| SCHEMBL16178782 | 0.81 | CYP3A4 (0.38) | CYP2D6MAPTALDH1A1EPHX2TSHR | |
| SCHEMBL15070490 | 0.79 | MAPT (0.63) | CYP2D6MAPTGAASMN1; SMN2NPC1 | |
| SCHEMBL4231324 | 0.77 | CYP2D6 (0.55) | CYP2D6MAPTGAASMN1; SMN2NPC1 | |
| SCHEMBL2844451 | 0.76 | SMN1; SMN2 (0.57) | CYP2D6SMN1; SMN2NPC1FAAHKDM4E | |
| SCHEMBL7890248 | 0.71 | POLB (0.66) | CYP2D6MAPTSMN1; SMN2NPC1HPGD | |
| SCHEMBL16178755 | 0.71 | NTRK1 (0.40) | MAPTGAASMN1; SMN2ALDH1A1POLB | |
| SCHEMBL16178737 | 0.71 | RAB9A (0.44) | MAPTSMN1; SMN2NPC1HPGDKDM4E | |
| SCHEMBL16178505 | 0.70 | RAB9A (0.57) | MAPTGAASMN1; SMN2NPC1FAAH | |
| SCHEMBL16178796 | 0.70 | KDM4E (0.35) | MAPTSMN1; SMN2NPC1HPGDKDM4E |
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-2723732-A1 | TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF | Purdue Pharma LP (US) | 2014-04-30 | — | — | EP | disclosed |
| WO-2012176061-A9 | TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF | PURDUE PHARMA L.P. (US) | 2013-03-14 | — | — | WO | disclosed |
| WO-2012176061-A1 | TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF | PURDUE PHARMA L.P. (US) | 2012-12-27 | — | — | WO | disclosed |