Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8117589 | 0.82 | CA2 (0.37) | ALDH1A1TDP1OPRM1CA2CA1 | |
| SCHEMBL4857794 | 0.81 | ALDH1A1 (0.54) | ALDH1A1TDP1OPRM1CA2CA1 | |
| SCHEMBL18124690 | 0.81 | ALDH1A1 (0.54) | ALDH1A1TDP1OPRM1CA2CA1 | |
| SCHEMBL22681516 | 0.77 | TSHR (0.32) | ALDH1A1 | |
| SCHEMBL23015677 | 0.75 | OPRM1 (0.50) | ALDH1A1TDP1OPRM1CA1DNM1 | |
| SCHEMBL29035274 | 0.74 | OPRM1 (0.39) | OPRM1CA2DNM1 | |
| SCHEMBL17903494 | 0.73 | OPRM1 (0.48) | ALDH1A1TDP1OPRM1DNM1 | |
| SCHEMBL21925359 | 0.72 | DNM1 (0.36) | ALDH1A1TDP1OPRM1CA2CA1 | |
| SCHEMBL4656057 | 0.70 | DNM1 (0.43) | ALDH1A1TDP1OPRM1CA2CA1 | |
| SCHEMBL18638254 | 0.70 | DNM1 (0.35) | ALDH1A1TDP1OPRM1CA2CA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8729185-B2 | Method for producing 2-cyanoethyl group-containing organic compound | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2014-05-20 | — | — | US | disclosed |
| US-20120259067-A1 | Method for Producing 2-Cyanoethyl Group-Containing Organic Compound | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2012-10-11 | — | — | US | disclosed |