Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.76 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.76 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1878783 | 1.00 | CYP2A6 (0.76) | CYP2A6CYP1A2TRPA1AKR1C3AKR1C2 | |
| SCHEMBL6890734 | 0.92 | CYP2A6 (0.73) | CYP2A6CYP1A2TRPA1AKR1C3AKR1C2 | |
| SCHEMBL6885287 | 0.92 | CYP2A6 (0.73) | CYP2A6CYP1A2TRPA1AKR1C3AKR1C2 | |
| SCHEMBL29407167 | 0.91 | CYP2A6 (0.80) | CYP2A6CYP1A2TRPA1AKR1C3AKR1C2 | |
| SCHEMBL347592 | 0.91 | CYP2A6 (0.80) | CYP2A6CYP1A2TRPA1AKR1C3AKR1C2 | |
| SCHEMBL15345795 | 0.88 | CYP2A6 (0.61) | CYP2A6CYP1A2TRPA1AKR1C3AKR1C2 | |
| SCHEMBL29076155 | 0.88 | CYP1A2 (0.61) | CYP2A6CYP1A2TRPA1AKR1C3AKR1C2 | |
| SCHEMBL7754288 | 0.88 | CYP2A6 (0.64) | CYP2A6CYP1A2TRPA1AKR1C3AKR1C2 | |
| SCHEMBL9845624 | 0.88 | CYP1A2 (0.61) | CYP2A6CYP1A2TRPA1AKR1C3AKR1C2 | |
| SCHEMBL31534025 | 0.87 | CYP2A6 (1.00) | CYP2A6CYP1A2AKR1C3AKR1C2NPC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116789604-A | 1,3, 4-substituted 2-thioether pyridazine derivative and preparation method thereof | 浙大城市学院 | 2023-09-22 | — | — | CN | disclosed |
| EP-4051658-A1 | SOLID-LIQUID SEPARATION PROCESSES | INEOS US CHEMICALS COMPANY (US) | 2022-09-07 | — | — | EP | disclosed |
| CN-110573487-B | Use of pressurized moisture line to avoid fouling in purified terephthalic acid PTA filter and lines | 英力士美国化学公司 | 2022-08-02 | — | — | CN | disclosed |
| CN-114667276-A | Solid-liquid separation method | 英力士美国化学公司 | 2022-06-24 | — | — | CN | disclosed |
| WO-2022061793-A1 | PROCESS FOR RECOVERING OXIDATION BY-PRODUCTS | INEOS US CHEMICALS COMPANY (US) | 2022-03-31 | — | — | WO | disclosed |