Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31707269 | 0.76 | CYP2A6 (0.51) | CYP2A6CYP3A4HTTCYP2E1KDM4E | |
| SCHEMBL2689916 | 0.76 | CYP2A6 (0.51) | CYP2A6CYP3A4HTTCYP2E1KDM4E | |
| SCHEMBL17477103 | 0.74 | NPC1 (0.47) | CYP2A6CYP3A4CYP2E1KDM4ENPY5R | |
| SCHEMBL6677484 | 0.72 | ALDH1A1 (0.50) | CYP2A6CYP3A4HTTCYP1A2KDM4E | |
| SCHEMBL23234420 | 0.70 | HTT (0.38) | CYP2A6CYP3A4HTTCYP2E1CYP1A2 | |
| SCHEMBL30754177 | 0.70 | HTT (0.38) | CYP2A6CYP3A4HTTCYP2E1CYP1A2 | |
| SCHEMBL17268488 | 0.70 | CYP2A6 (0.46) | CYP2A6CYP3A4HTTCYP2E1MAPT | |
| SCHEMBL12854024 | 0.70 | HTT (0.50) | HTTKDM4EHPGDTSHRMAPT | |
| SCHEMBL16574032 | 0.70 | KMT2A (0.55) | CYP3A4HTTCYP1A2CYP2C19CLK4 | |
| SCHEMBL29767299 | 0.70 | KMT2A (0.55) | CYP3A4HTTCYP1A2CYP2C19CLK4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3186229-A4 | PROCESS FOR THE PREPARATION OF 3-(3-CHLORO-1H-PYRAZOL-1-YL)PYRIDINE | Dow AgroSciences LLC (US) | 2018-01-10 | — | — | EP | disclosed |
| EP-3186229-A1 | PROCESS FOR THE PREPARATION OF 3-(3-CHLORO-1H-PYRAZOL-1-YL)PYRIDINE | Dow AgroSciences LLC (US) | 2017-07-05 | — | — | EP | disclosed |
| WO-2016018443-A1 | PROCESS FOR THE PREPARATION OF 3-(3-CHLORO-1H-PYRAZOL-1-YL)PYRIDINE | DOW AGROSCIENCES LLC (US) | 2016-02-04 | — | — | WO | disclosed |