Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 9/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | LPL | P06858 | 1/20 | 0.36 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL28176487 | 0.98 | KCNH2 (0.47) | KCNH2SMN1; SMN2LMNACYP2D6CYP2C9 | |
| SCHEMBL28133360 | 0.95 | KCNH2 (0.42) | KCNH2SMN1; SMN2TAAR1KDM4EALDH1A1 | |
| SCHEMBL1322599 | 0.75 | SIRT2 (0.38) | TSHR | |
| SCHEMBL2056149 | 0.73 | KCNH2 (0.70) | KCNH2SMN1; SMN2LMNAHIF1APPARA | |
| SCHEMBL11625298 | 0.73 | TSHR (0.42) | TSHR | |
| SCHEMBL1994954 | 0.73 | TSHR (0.42) | TSHR | |
| SCHEMBL2101819 | 0.73 | TSHR (0.42) | TSHR | |
| SCHEMBL2030187 | 0.73 | TSHR (0.42) | TSHR | |
| SCHEMBL11623341 | 0.73 | TSHR (0.42) | TSHR | |
| SCHEMBL2410823 | 0.73 | TSHR (0.42) | TSHR |
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-4999440-A | Phenylethyloxirane Intermediates | BAYER AKTIENGESELLSCHAFT (DE) | 1991-03-12 | — | — | US | disclosed |
| EP-0291795-B1 | HYDROXYALKYL TRIAZOLYL DERIVATIVES | BAYER AG (DE) | 1990-12-05 | — | — | EP | disclosed |
| US-4894383-A | Fungicidal hydroxyalkyl-triazolyl derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1990-01-16 | — | — | US | disclosed |
| EP-0291795-A2 | Hydroxyalkyl triazolyl derivatives | BAYER AG (DE) | 1988-11-23 | — | — | EP | disclosed |