Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.47 |
| ▸ | PDE7A | Q13946 | 3/20 | 0.47 |
| ▸ | PDE7B | Q9NP56 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | KIF18A | Q8NI77 | 1/20 | 0.46 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28394155 | 0.89 | MAPK1 (0.52) | CYP1A2CYP3A4HPGDCYP2C19NPC1 | |
| SCHEMBL22898034 | 0.89 | MEN1 (0.47) | CYP1A2CYP3A4HPGDCYP2C19NPC1 | |
| SCHEMBL19622954 | 0.84 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2C19NPC1RAB9A | |
| SCHEMBL22898025 | 0.83 | NPC1 (0.48) | CYP1A2CYP3A4HPGDCYP2C19NPC1 | |
| SCHEMBL22897914 | 0.83 | TSHR (0.43) | NPC1RAB9APIN1TSHRMEN1 | |
| SCHEMBL22898040 | 0.82 | ALDH1A1 (0.53) | HPGDNPC1RAB9APIN1TSHR | |
| SCHEMBL22898046 | 0.80 | MAPT (0.48) | CYP1A2CYP3A4HPGDCYP2C19NPC1 | |
| SCHEMBL7640891 | 0.79 | CYP1A2 (0.49) | CYP1A2CYP3A4HPGDCYP2C19NPC1 | |
| SCHEMBL4879420 | 0.78 | POLB (0.57) | CYP1A2CYP3A4HPGDCYP2C19PIN1 | |
| SCHEMBL7060448 | 0.78 | NPC1 (0.49) | CYP1A2CYP3A4HPGDCYP2C19NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114072000-A | Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto | 科迪华农业科技有限责任公司 | 2022-02-18 | — | — | CN | disclosed |
| WO-2021011722-A1 | MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2021-01-21 | — | — | WO | disclosed |