Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 2/20 | 0.34 |
| ▸ | NOS1 | P29475 | 2/20 | 0.34 |
| ▸ | NOS2 | P35228 | 2/20 | 0.34 |
| ▸ | ATR | Q13535 | 1/20 | 0.33 |
| ▸ | AKT2 | P31751 | 1/20 | 0.33 |
| ▸ | MERTK | Q12866 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9607586 | 0.90 | NOS3 (0.40) | CYP1A2PDE10ANPC1DPP4NOS3 | |
| SCHEMBL8777295 | 0.89 | CYP1A2 (0.46) | CYP1A2PDE10ANPC1KDM4EALDH1A1 | |
| SCHEMBL8777349 | 0.88 | CYP1A2 (0.45) | CYP1A2PDE10ANPC1 | |
| SCHEMBL8777164 | 0.87 | CYP1A2 (0.44) | CYP1A2PDE10ANPC1KDM4EALDH1A1 | |
| SCHEMBL9607582 | 0.86 | CYP1A2 (0.48) | CYP1A2PDE10ANPC1KDM4EALDH1A1 | |
| SCHEMBL8777140 | 0.86 | CYP1A2 (0.50) | CYP1A2PDE10ANPC1KDM4EALDH1A1 | |
| SCHEMBL8776881 | 0.86 | CYP1A2 (0.50) | CYP1A2PDE10ANPC1KDM4EALDH1A1 | |
| SCHEMBL8776938 | 0.86 | PDE10A (0.51) | CYP1A2PDE10ANPC1KDM4EALDH1A1 | |
| SCHEMBL8777273 | 0.85 | CYP1A2 (0.42) | CYP1A2PDE10ANPC1LCKKDR | |
| SCHEMBL8777381 | 0.84 | CYP1A2 (0.41) | CYP1A2PDE10ANPC1KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012069652-A2 | FUNGICIDE MIXTURES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-05-31 | — | — | WO | disclosed |
| WO-2010136475-A1 | SUBSTITUTED QUINAZOLINES AS FUNGICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2010-12-02 | — | — | WO | disclosed |