Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.45 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | XBP1 | P17861 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL8777283 | 0.91 | CYP1A2 (0.53) | CYP1A2NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL8776881 | 0.86 | CYP1A2 (0.50) | CYP1A2PDE10ANPC1RAB9AALDH1A1 | |
| SCHEMBL8777140 | 0.86 | CYP1A2 (0.50) | CYP1A2PDE10ANPC1RAB9AALDH1A1 | |
| SCHEMBL8776938 | 0.86 | PDE10A (0.51) | CYP1A2PDE10ANPC1RAB9AALDH1A1 | |
| SCHEMBL8777229 | 0.84 | CYP1A2 (0.48) | CYP1A2PDE10ANPC1RAB9AALDH1A1 | |
| SCHEMBL8776930 | 0.84 | CYP1A2 (0.48) | CYP1A2PDE10ANPC1RAB9AALDH1A1 | |
| SCHEMBL8776954 | 0.84 | CYP1A2 (0.48) | CYP1A2PDE10ANPC1MAPTSMN1; SMN2 | |
| SCHEMBL9607582 | 0.84 | CYP1A2 (0.48) | CYP1A2PDE10ANPC1RAB9AALDH1A1 | |
| SCHEMBL8777251 | 0.83 | PDE10A (0.48) | CYP1A2PDE10ARAB9AALDH1A1MAPT | |
| SCHEMBL13063410 | 0.83 | CYP1A2 (0.45) | CYP1A2PDE10ANPC1RAB9AALDH1A1 |
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-2012069652-A2 | FUNGICIDE MIXTURES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-05-31 | — | — | WO | disclosed |