Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.40 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL597701 | 0.79 | CYP1A2 (0.60) | CYP2A6CYP1A2RAPGEF4LMNAALDH1A1 | |
| SCHEMBL14525504 | 0.79 | CYP2A6 (0.36) | CYP2A6CYP1A2POLBRAPGEF4LMNA | |
| SCHEMBL23735698 | 0.79 | CYP3A4 (0.46) | CYP2A6POLBLMNAALDH1A1TP53 | |
| SCHEMBL22435494 | 0.76 | POLB (0.41) | CYP2A6POLBLMNAALDH1A1TP53 | |
| SCHEMBL2723074 | 0.76 | CYP2A6 (0.52) | CYP2A6CYP1A2POLBLMNAALDH1A1 | |
| SCHEMBL806516 | 0.74 | CYP1A2 (0.54) | CYP2A6CYP1A2RAPGEF4ALDH1A1KDM4E | |
| SCHEMBL3275928 | 0.74 | CYP2A6 (0.63) | CYP2A6CYP1A2POLBLMNAALDH1A1 | |
| SCHEMBL20019511 | 0.74 | CYP1A2 (0.54) | CYP2A6CYP1A2POLBRAPGEF4LMNA | |
| SCHEMBL806445 | 0.72 | CYP2A6 (0.68) | CYP2A6CYP1A2LMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL15317149 | 0.71 | CYP1A2 (0.50) | CYP2A6CYP1A2POLBRAPGEF4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019149260-A1 | PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF | 青岛清原化合物有限公司 | 2019-08-08 | — | — | WO | disclosed |