Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 5/20 | 0.34 |
| ▸ | INPPL1 | O15357 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 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 | |
|---|---|---|---|---|
| SCHEMBL6662308 | 1.00 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2D6ALDH1A1KDM4E | |
| SCHEMBL6658604 | 0.99 | CYP3A4 (0.36) | CYP1A2CYP3A4CYP2D6ALDH1A1KDM4E | |
| SCHEMBL6658601 | 0.99 | CYP3A4 (0.36) | CYP1A2CYP3A4CYP2D6ALDH1A1KDM4E | |
| SCHEMBL6664216 | 0.96 | ALDH1A1 (0.37) | CYP1A2CYP3A4CYP2D6ALDH1A1KDM4E | |
| SCHEMBL6664213 | 0.96 | ALDH1A1 (0.37) | CYP1A2CYP3A4CYP2D6ALDH1A1KDM4E | |
| SCHEMBL6660628 | 0.95 | KDM4E (0.36) | CYP1A2CYP3A4CYP2D6ALDH1A1KDM4E | |
| SCHEMBL6660630 | 0.95 | KDM4E (0.36) | CYP1A2CYP3A4CYP2D6ALDH1A1KDM4E | |
| SCHEMBL6659511 | 0.94 | PGR (0.36) | CYP1A2CYP3A4CYP2D6ALDH1A1PGR | |
| SCHEMBL6659506 | 0.94 | PGR (0.36) | CYP1A2CYP3A4CYP2D6ALDH1A1PGR | |
| SCHEMBL6659775 | 0.93 | PGR (0.35) | CYP1A2CYP3A4CYP2D6ALDH1A1KDM4E |
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 |