Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | TNFRSF1A | P19438 | 3/20 | 0.40 |
| ▸ | APP | P05067 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6661583 | 1.00 | CA2 (0.42) | CA2TNFRSF1AAPPKDM4EALDH1A1 | |
| SCHEMBL6658948 | 0.98 | CA2 (0.41) | CA2TNFRSF1AAPPKDM4EALDH1A1 | |
| SCHEMBL6658952 | 0.98 | CA2 (0.41) | CA2TNFRSF1AAPPKDM4EALDH1A1 | |
| SCHEMBL6658916 | 0.91 | APP (0.48) | CA2APPKDM4EALDH1A1MAPT | |
| SCHEMBL6658909 | 0.91 | APP (0.48) | CA2APPKDM4EALDH1A1MAPT | |
| SCHEMBL6664347 | 0.84 | TNFRSF1A (0.38) | TNFRSF1AAPPKDM4EALDH1A1MAPT | |
| SCHEMBL6664339 | 0.84 | TNFRSF1A (0.38) | TNFRSF1AAPPKDM4EALDH1A1MAPT | |
| SCHEMBL6660191 | 0.82 | TNFRSF1A (0.37) | TNFRSF1AAPPKDM4EALDH1A1MAPT | |
| SCHEMBL6660197 | 0.82 | TNFRSF1A (0.37) | TNFRSF1AAPPKDM4EALDH1A1MAPT | |
| SCHEMBL6662590 | 0.81 | POLB (0.39) | CA2APPKDM4EALDH1A1MAPT |
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-1165721-B1 | LIQUID CRYSTALLINE ALKENYL COMPOUNDS INCORPORATING AN HETEROCYCLIC FIVE-MEMBERED RING | QINETIQ LTD (GB) | 2004-08-04 | — | — | EP | 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 |