Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.35 |
| ▸ | MLYCD | O95822 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | OXTR | P30559 | 4/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5702149 | 0.76 | ALDH1A1 (0.53) | ESR1HTTALDH1A1GLATSHR | |
| SCHEMBL6554012 | 0.72 | OXTR (0.40) | HTTALDH1A1BRAFHPGDOXTR | |
| SCHEMBL789613 | 0.69 | HTT (0.54) | HTTALDH1A1TSHRBRAFKDR | |
| SCHEMBL6027482 | 0.68 | LDHA (0.49) | HTTALDH1A1GLATSHROXTR | |
| SCHEMBL8391735 | 0.68 | NPC1 (0.48) | ESR1ALDH1A1NR1H2CYP3A4ESR2 | |
| SCHEMBL9000287 | 0.68 | NPC1 (0.48) | ESR1ALDH1A1NR1H2CYP3A4ESR2 | |
| SCHEMBL3646180 | 0.65 | CYP3A4 (0.65) | HTTALDH1A1GLATSHRCYP3A4 | |
| SCHEMBL6671752 | 0.64 | HTT (0.65) | HTTALDH1A1GLATSHRCYP3A4 | |
| SCHEMBL10348190 | 0.64 | ALDH1A1 (0.59) | HTTALDH1A1GLATSHRCYP3A4 | |
| SCHEMBL18840276 | 0.64 | ALDH1A1 (0.67) | ESR1MLYCDALDH1A1GLATSHR |
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-1389185-A2 | AMINOALCOHOL DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2004-02-18 | — | — | EP | disclosed |
| WO-2002094770-A2 | AMINOALCOHOL DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-11-28 | — | — | WO | disclosed |