Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.35 |
| ▸ | ATP4A | P20648 | 1/20 | 0.33 |
| ▸ | ATP4B | P51164 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.32 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.31 |
| ▸ | HTR3A | P46098 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3787471 | 0.84 | CYP1A2 (0.37) | CYP1A2NPC1RAB9AKDM4ELMNA | |
| SCHEMBL3787877 | 0.84 | CYP1A2 (0.39) | CYP1A2NPC1RAB9ALMNAKMT2A | |
| SCHEMBL8777776 | 0.84 | NPC1 (0.40) | CYP1A2NPC1ALDH1A1RAB9AKMT2A | |
| SCHEMBL8778057 | 0.82 | SCN9A (0.40) | CYP1A2NPC1RAB9ALMNASCN9A | |
| SCHEMBL9607508 | 0.82 | L3MBTL1 (0.46) | CYP1A2NPC1ALDH1A1RAB9AKDM4E | |
| SCHEMBL8777975 | 0.81 | TLR8 (0.36) | CYP1A2ALDH1A1KDM4EGAAHPGD | |
| SCHEMBL8778109 | 0.81 | PDE10A (0.42) | CYP1A2NPC1ALDH1A1RAB9AKDM4E | |
| SCHEMBL13063655 | 0.81 | CYP1A2 (0.35) | CYP1A2PDE10A | |
| SCHEMBL8778000 | 0.81 | USP1 (0.40) | SCN9A | |
| SCHEMBL29368748 | 0.81 | CYP1A2 (0.40) | CYP1A2NPC1ALDH1A1RAB9AGAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010136475-A1 | SUBSTITUTED QUINAZOLINES AS FUNGICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2010-12-02 | — | — | WO | disclosed |