Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL4721541 | 1.00 | TSHR (0.40) | TSHREPHX2KDM4ENPC1ALDH1A1 | |
| Adamantane SCHEMBL9651363 | 1.00 | TSHR (0.40) | TSHREPHX2KDM4ENPC1ALDH1A1 | |
| SCHEMBL71132 | 1.00 | TSHR (0.40) | TSHREPHX2KDM4ENPC1ALDH1A1 | |
| SCHEMBL14791313 | 1.00 | TSHR (0.40) | TSHREPHX2KDM4ENPC1ALDH1A1 | |
| SCHEMBL6315184 | 0.97 | TSHR (0.39) | TSHREPHX2KDM4ENPC1 | |
| Hydrochloric Acid SCHEMBL27840012 | 0.97 | TSHR (0.39) | TSHREPHX2KDM4ENPC1 | |
| Ethylene SCHEMBL1617394 | 0.94 | TSHR (0.37) | TSHREPHX2KDM4ENPC1 | |
| SCHEMBL5249363 | 0.88 | TSHR (0.44) | TSHREPHX2KDM4ENPC1ALDH1A1 | |
| SCHEMBL23614669 | 0.86 | TSHR (0.33) | TSHREPHX2 | |
| SCHEMBL5155267 | 0.86 | TSHR (0.33) | TSHREPHX2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9951038-B2 | Quinazolin-4(3H)-one-type piperidine compounds and uses thereof | PURDUE PHARMA L.P. (US) | 2018-04-24 | — | — | US | disclosed |
| EP-2797912-B1 | AZETIDINE-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | PURDUE PHARMA LP (US) | 2016-05-25 | — | — | EP | disclosed |
| WO-2014102594-A2 | SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | PURDUE PHARMA L.P. (US) | 2014-07-03 | — | — | WO | disclosed |
| WO-2013080036-A1 | AZETIDINE-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | PURDUE PHARMA L.P. (US) | 2013-06-06 | — | — | WO | disclosed |
| WO-2012085648-A1 | PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | PURDUE PHARMA L.P. (US) | 2012-06-28 | — | — | WO | disclosed |