Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.33 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PYGL | P06737 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 2/20 | 0.31 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.30 |
| ▸ | ACLY | P53396 | 1/20 | 0.30 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.30 |
| ▸ | BRAF | P15056 | 1/20 | 0.30 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.30 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17797222 | 0.93 | PYGL (0.35) | CYP1A2ADORA3PIK3R1PIK3CAPYGL | |
| SCHEMBL17797232 | 0.87 | PYGL (0.34) | CYP1A2ADORA3PIK3R1PIK3CAPYGL | |
| SCHEMBL17797257 | 0.86 | PIK3R1 (0.33) | CYP1A2ADORA3PIK3R1PIK3CAPYGL | |
| SCHEMBL3837679 | 0.86 | CYP1A2 (0.35) | CYP1A2ADORA3PYGLADORA2ASMN1; SMN2 | |
| SCHEMBL17797201 | 0.85 | PIK3R1 (0.33) | CYP1A2ADORA3PIK3R1PIK3CA | |
| SCHEMBL17797245 | 0.83 | ALDH1A1 (0.35) | CYP1A2PIK3R1PIK3CAALDH1A1MAPK8 | |
| SCHEMBL17797237 | 0.81 | RECQL (0.30) | — | |
| SCHEMBL17797196 | 0.80 | ALDH1A1 (0.33) | PYGLSMN1; SMN2ALDH1A1ABL1 | |
| SCHEMBL2470016 | 0.80 | PYGL (0.35) | CYP1A2ADORA3PIK3R1PIK3CAPYGL | |
| SCHEMBL17797234 | 0.79 | RORC (0.37) | CYP1A2ADORA3SMN1; SMN2ALDH1A1ABL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2060566-B1 | Poly-substituted aryls | DOW AGROSCIENCES LLC (US) | 2016-06-08 | — | — | EP | claimed |