Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 11/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.42 |
| ▸ | AXL | P30530 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL434201 | 0.76 | ASIC3 (0.44) | ALDH1A1SMN1; SMN2HSP90AA1PTK2DYRK1B | |
| SCHEMBL2112813 | 0.72 | CYP2A6 (0.52) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E | |
| SCHEMBL973260 | 0.72 | CYP2A6 (0.53) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E | |
| SCHEMBL120088 | 0.70 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E | |
| SCHEMBL29419014 | 0.70 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E | |
| SCHEMBL30473120 | 0.70 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E | |
| SCHEMBL21295738 | 0.69 | CYP2A6 (0.44) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E | |
| SCHEMBL12108682 | 0.68 | CYP2A6 (0.83) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E | |
| SCHEMBL12956908 | 0.68 | CYP2A6 (0.83) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E | |
| SCHEMBL31508264 | 0.68 | CYP2A6 (0.83) | CYP2A6ALDH1A1CYP3A4CYP1A2KDM4E |
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-0543930-A1 | ARTHROPODICIDAL PYRAZOLINES, PYRAZOLIDINES AND HYDRAZINES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-06-02 | — | — | EP | disclosed |
| WO-1992003421-A2 | ARTHROPODICIDAL PYRAZOLINES, PYRAZOLIDINES AND HYDRAZINES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-03-05 | — | — | WO | disclosed |