Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7014519 | 0.89 | HSD17B10 (0.45) | HSD17B10ALDH1A1TSHRCYP3A4ESR2 | |
| SCHEMBL27763594 | 0.87 | ESR2 (0.47) | HSD17B10ALDH1A1TSHRCYP3A4ESR2 | |
| SCHEMBL7018615 | 0.83 | TDP1 (0.58) | ALDH1A1TSHRCYP3A4ESR2MAPT | |
| SCHEMBL2652739 | 0.83 | ALDH1A1 (0.45) | ALDH1A1ESR2MAPTVCAM1MEN1 | |
| SCHEMBL12117513 | 0.82 | HSD17B10 (0.58) | CES2CES1HSD17B10ALDH1A1TSHR | |
| SCHEMBL27737266 | 0.79 | VCAM1 (0.54) | HSD17B10ALDH1A1TSHRCYP3A4ESR2 | |
| SCHEMBL7022740 | 0.78 | HTT (0.61) | HSD17B10ALDH1A1CYP3A4RECQLMAPT | |
| SCHEMBL17940719 | 0.76 | ALDH1A1 (0.41) | ALDH1A1TSHRCYP3A4ARVCAM1 | |
| SCHEMBL29642800 | 0.76 | ALDH1A1 (0.41) | ALDH1A1TSHRCYP3A4ARVCAM1 | |
| SCHEMBL7190826 | 0.76 | TSHR (0.64) | CES2CES1HSD17B10ALDH1A1TSHR |
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-0470795-B2 | Process for the manufacture of nitriles | AVECIA LTD (GB) | 2001-02-21 | — | — | EP | disclosed |
| EP-0470795-B1 | Process for the manufacture of nitriles | ZENECA LTD (GB) | 1995-01-25 | — | — | EP | disclosed |
| EP-0470795-A1 | Process for the manufacture of nitriles | ZENECA LIMITED (GB) | 1992-02-12 | — | — | EP | disclosed |