Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13828216 | 0.73 | OPRM1 (0.55) | KCNN4CYP2C19CYP1A2DRD2OPRM1 | |
| SCHEMBL248981 | 0.73 | KCNN4 (0.42) | KCNN4CYP2C19CYP1A2CYP2C9DRD2 | |
| SCHEMBL4307361 | 0.69 | CYP2C19 (0.56) | KCNN4CYP2C19CYP1A2CYP2C9HIF1A | |
| SCHEMBL14910050 | 0.67 | KCNN4 (0.50) | KCNN4CYP2C19CYP1A2CYP2C9TSHR | |
| SCHEMBL7063119 | 0.67 | KCNN4 (0.50) | KCNN4CYP2C19CYP1A2TSHRHIF1A | |
| Propane SCHEMBL27957403 | 0.65 | CYP2C19 (0.46) | KCNN4CYP2C19CYP1A2CYP2C9DRD2 | |
| SCHEMBL4295864 | 0.65 | TSHR (0.46) | KCNN4CYP2C19CYP1A2CYP2C9TSHR | |
| SCHEMBL9194705 | 0.65 | CYP2C19 (0.52) | KCNN4CYP2C19CYP1A2CYP2C9TSHR | |
| SCHEMBL29737776 | 0.65 | KCNN4 (0.48) | KCNN4CYP2C19CYP1A2CYP2C9TSHR | |
| SCHEMBL5161709 | 0.65 | TSHR (0.46) | KCNN4CYP2C19CYP1A2CYP2C9TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2001072614-A | PRODUCTION OF OLEFIN COMPOUND | SUMITOMO CHEM CO LTD | 2001-03-21 | — | — | JP | disclosed |