Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MPI | P34949 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7731774 | 1.00 | NQO1 (0.48) | NQO1TSHRTDP1XDHPARP10 | |
| SCHEMBL7734386 | 0.93 | AOC3 (0.37) | NQO1XDHKDM4EALDH1A1CYP1A2 | |
| SCHEMBL7734389 | 0.93 | AOC3 (0.37) | NQO1XDHKDM4EALDH1A1CYP1A2 | |
| SCHEMBL7733103 | 0.89 | AOC3 (0.35) | NQO1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7733105 | 0.89 | AOC3 (0.35) | NQO1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7734374 | 0.87 | CYP2D6 (0.51) | LTA4HKDM4ERAB9ASMN1; SMN2NPC1 | |
| SCHEMBL7723548 | 0.87 | CYP3A4 (0.44) | LTA4HKDM4EALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL7734371 | 0.87 | CYP2D6 (0.51) | LTA4HKDM4ERAB9ASMN1; SMN2NPC1 | |
| SCHEMBL7723551 | 0.87 | CYP3A4 (0.44) | LTA4HKDM4EALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL7731783 | 0.86 | ESR2 (0.41) | TSHRKDM4EALDH1A1RAB9ASMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0929508-B1 | LIQUID CRYSTALLINE (E,E)-BUTADIENE COMPOUNDS AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS | QINETIQ LTD (GB) | 2002-03-20 | — | — | EP | disclosed |
| US-6106908-A | OPTICAL APPARATUS WITH LIQUID CRYSTAL COMPOUNDS | THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) | 2000-08-22 | — | — | US | disclosed |