Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11043486 | 0.78 | ALDH1A1 (0.49) | ALDH1A1HPGDCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL9872560 | 0.77 | SLC6A2 (0.33) | ALDH1A1HPGDCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6186101 | 0.73 | ALDH1A1 (0.37) | ALDH1A1HPGDCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11039018 | 0.72 | CYP2D6 (0.40) | ALDH1A1HPGDCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL9635178 | 0.69 | TNKS2 (0.42) | ALDH1A1HPGDHSD17B10TSHRKDM4E | |
| SCHEMBL11595279 | 0.65 | — | — | |
| SCHEMBL1520218 | 0.64 | ALDH1A1 (1.00) | ALDH1A1HPGDCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8188471 | 0.63 | GLA (0.33) | HPGDTSHRKDM4ECHRNA7HTR2B | |
| SCHEMBL8977701 | 0.63 | SLC6A2 (0.46) | ALDH1A1HPGDCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL5950697 | 0.62 | ALDH1A1 (0.37) | ALDH1A1HPGDCYP1A2CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-5510344-A | Acrylate fungicides | SCHERING AGROCHEMICALS LIMITED (GB) | 1996-04-23 | — | — | US | disclosed |
| EP-0378308-B1 | Acrylate fungicides | AGREVO UK LTD (GB) | 1996-04-10 | — | — | EP | disclosed |
| US-5332752-A | Acrylate fungicides | SCHERING AGROCHEMICALS LIMITED (GB) | 1994-07-26 | — | — | US | disclosed |
| EP-0378308-A1 | Acrylate fungicides | AgrEvo UK Limited (GB) | 1990-07-18 | — | — | EP | disclosed |