Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7042816 | 0.84 | ABCB1 (0.44) | ALDH1A1ABCB1MEN1KMT2AMAPK1 | |
| SCHEMBL7606264 | 0.84 | ALDH1A1 (0.46) | ALDH1A1ABCB1HIF1ACYP1A2CYP2D6 | |
| SCHEMBL7040480 | 0.84 | ALDH1A1 (0.43) | ALDH1A1ABCB1MEN1KMT2AMAPK1 | |
| SCHEMBL7252017 | 0.84 | BCHE (0.42) | ALDH1A1ABCB1MEN1KMT2AMAPK1 | |
| SCHEMBL7042715 | 0.84 | OPRD1 (0.40) | ALDH1A1ABCB1MEN1KMT2AMAPK1 | |
| SCHEMBL7039648 | 0.81 | ABCB1 (0.43) | ALDH1A1ABCB1MEN1KMT2APOLB | |
| SCHEMBL7606266 | 0.79 | ELANE (0.42) | ABCB1HIF1ACYP1A2SLC6A2CYP2C19 | |
| SCHEMBL3039092 | 0.74 | NPY5R (0.57) | MEN1KMT2AHIF1ACYP1A2SLC6A2 | |
| SCHEMBL6321265 | 0.73 | KCNH2 (0.42) | ALDH1A1ABCB1KCNH2GAA | |
| SCHEMBL6319950 | 0.73 | KCNH2 (0.42) | ALDH1A1ABCB1KCNH2GAA |
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-1292564-A2 | AMINOALCOHOL DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2003-03-19 | — | — | EP | disclosed |
| WO-2001062705-A2 | AMINOALCOHOL DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-08-30 | — | — | WO | disclosed |