Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 6/20 | 0.52 |
| ▸ | ESR1 | P03372 | 3/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.52 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.49 |
| ▸ | TACR2 | P21452 | 2/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | SHBG | P04278 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.49 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8984275 | 0.98 | ESR1 (0.51) | APPESR1ESR2TRPV1ADRA2A | |
| SCHEMBL4949286 | 0.90 | KCNH2 (0.41) | TRPV1KDM4EALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL4947793 | 0.90 | KCNH2 (0.41) | TRPV1KDM4EALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL4950539 | 0.90 | KCNH2 (0.41) | TRPV1KDM4EALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL4949276 | 0.88 | KCNH2 (0.40) | TRPV1KDM4EALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL4452318 | 0.88 | APP (0.57) | APPESR1ESR2TRPV1CYP3A4 | |
| SCHEMBL5353884 | 0.86 | KCNH2 (0.39) | APPESR1ESR2TRPV1KDM4E | |
| SCHEMBL10015617 | 0.86 | KCNH2 (0.39) | APPESR1ESR2TRPV1KDM4E | |
| SCHEMBL2247644 | 0.86 | KCNH2 (0.39) | APPESR1ESR2TRPV1KDM4E | |
| SCHEMBL4948080 | 0.86 | KCNH2 (0.39) | TRPV1KDM4EALDH1A1CYP3A4HSD17B10 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1165721-B1 | LIQUID CRYSTALLINE ALKENYL COMPOUNDS INCORPORATING AN HETEROCYCLIC FIVE-MEMBERED RING | QINETIQ LTD (GB) | 2004-08-04 | — | — | EP | disclosed |
| US-6696110-B1 | THERMOGRAPHY | QINETIQ LIMITED (GB) | 2004-02-24 | — | — | US | disclosed |
| EP-1165721-A2 | LIQUID CRYSTALLINE ALKENYL COMPOUNDS INCORPORATING AN HETEROCYCLIC FIVE-MEMBERED RING | THE SECRETARY OF STATE FOR DEFENCE (GB) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000060027-A2 | LIQUID CRYSTALLINE ALKENYL COMPOUNDS INCORPORATING AN HETEROCYCLIC FIVE-MEMBERED RING | QINETIQ LIMITED (GB) | 2000-10-12 | — | — | WO | disclosed |