Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.42 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.42 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22897771 | 0.85 | CYP1A2 (0.38) | CYP1A2CYP2C9ADORA3RAB9AKMT2A | |
| SCHEMBL22897834 | 0.83 | MAPT (0.47) | CYP1A2CYP2C9RAB9AKMT2AMEN1 | |
| SCHEMBL17454042 | 0.81 | KMT2A (0.40) | KMT2AMAPTTP53POLBALDH1A1 | |
| SCHEMBL6615348 | 0.80 | CYP1A2 (0.48) | CYP1A2CYP2C9ADORA3HTTRAB9A | |
| SCHEMBL16202001 | 0.80 | CYP1A2 (0.48) | CYP1A2CYP2C9ADORA3HTTRAB9A | |
| SCHEMBL16073029 | 0.79 | ALDH1A1 (0.43) | ADORA3HTTRAB9AKMT2AMEN1 | |
| SCHEMBL6132524 | 0.79 | CYP1A2 (0.47) | CYP1A2CYP2C9ADORA3HTTRAB9A | |
| SCHEMBL14577291 | 0.78 | RXRA (0.42) | CYP1A2MAPTL3MBTL1PTGS2SMN1; SMN2 | |
| SCHEMBL6614645 | 0.76 | CYP1A2 (0.44) | CYP1A2CYP2C9ADORA3HTTRAB9A | |
| SCHEMBL22660837 | 0.76 | PTGS1 (0.39) | CYP1A2CYP2C9RAB9ANPC1MAPT |
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 |