Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.52 |
| ▸ | IKBKB | O14920 | 1/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.49 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.48 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.48 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.48 |
| ▸ | BRD4 | O60885 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.44 |
| ▸ | ATR | Q13535 | 1/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8981695 | 0.83 | MAP4K4 (0.57) | CYP2A6PIK3CANPC1RAB9ACYP1A2 | |
| SCHEMBL3146889 | 0.82 | ADORA2A (0.52) | ADORA2AADORA1IKBKBPIK3CDPIK3CA | |
| SCHEMBL28308461 | 0.81 | ADORA2A (0.54) | ADORA2AADORA1IKBKBPIK3CDPIK3CA | |
| SCHEMBL20288103 | 0.81 | CYP2A6 (0.57) | ADORA2AADORA1CYP2A6PIK3CDPIK3CA | |
| SCHEMBL2559978 | 0.79 | ADORA2A (0.49) | ADORA2AADORA1IKBKBPIK3CDPIK3CA | |
| SCHEMBL10835259 | 0.79 | ADORA2A (0.52) | ADORA2AADORA1IKBKBPIK3CDPIK3CA | |
| SCHEMBL9535483 | 0.78 | IKBKB (0.52) | ADORA2AADORA1IKBKBPIK3CDPIK3CA | |
| SCHEMBL4412551 | 0.77 | CYP2A6 (0.60) | ADORA1CYP2A6NPC1RAB9A | |
| SCHEMBL3140455 | 0.77 | MAP4K4 (0.63) | ADORA2AADORA1IKBKBBRD4CYP1A2 | |
| SCHEMBL2227047 | 0.76 | MAP4K4 (0.72) | PIK3CA |
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-2264010-A1 | Hetarylamidines | Bayer CropScience AG (DE) | 2010-12-22 | — | — | EP | disclosed |
| EP-2264010-A1 | Hetarylamidines | Bayer CropScience AG (DE) | 2010-12-22 | — | — | EP | disclosed |