Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PPIA | P62937 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL8986861 | 0.90 | TRPA1 (0.52) | TRPA1CYP3A4CYP1A2CYP2C19TSHR | |
| Acetic Acid SCHEMBL8986878 | 0.84 | PLA2G7 (0.41) | CYP3A4CYP1A2CYP2C19TSHRNPC1 | |
| SCHEMBL8986829 | 0.84 | PLA2G7 (0.44) | CYP3A4KDM4ECYP1A2CYP2C19TSHR | |
| SCHEMBL8986882 | 0.84 | ALDH1A1 (0.46) | CYP3A4CYP1A2NPC1MEN1LMNA | |
| SCHEMBL8986885 | 0.79 | POLB (0.47) | TRPA1CYP3A4CYP1A2CYP2C19TSHR | |
| SCHEMBL8986845 | 0.77 | SMN1; SMN2 (0.59) | CYP3A4CYP1A2CYP2C19TSHRNPC1 | |
| SCHEMBL8986897 | 0.73 | KMT2A (0.48) | MEN1KMT2APOLBRAB9A | |
| SCHEMBL8986852 | 0.68 | SMN1; SMN2 (0.58) | CYP3A4CYP1A2CYP2C19NPC1MEN1 | |
| SCHEMBL8986838 | 0.68 | NPC1 (0.62) | CYP3A4CYP1A2CYP2C19TSHRNPC1 | |
| SCHEMBL8986849 | 0.66 | SMN1; SMN2 (0.54) | CYP3A4CYP1A2CYP2C19NPC1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0572782-B1 | 1-Aryl-3-(3,4-dihydro-4-oxo-3-quinazolinyl)-urea fungicidal agents | AMERICAN CYANAMID CO (US) | 1996-06-26 | — | — | EP | disclosed |
| US-5276038-A | 1-aryl-3-(3,4-dihydro-4-oxo-3-quinazolinyl)urea fungicidal agents | AMERICAN CYANAMID COMPANY (US) | 1994-01-04 | — | — | US | disclosed |