Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.37 |
| ▸ | CES1 | P23141 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA4 | P22748 | 2/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.30 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL27519545 | 0.78 | CA1 (0.44) | CES2CES1CA1CA2CA4 | |
| SCHEMBL7498648 | 0.73 | HDAC4 (0.39) | CA1CA2 | |
| SCHEMBL8702494 | 0.73 | CES2 (0.32) | CES2CES1CA1CA2CA4 | |
| SCHEMBL30741240 | 0.72 | KIF11 (0.34) | CES2 | |
| SCHEMBL4215888 | 0.72 | — | — | |
| SCHEMBL3687267 | 0.72 | KIF11 (0.34) | CES2 | |
| Bicarbonate SCHEMBL16932539 | 0.71 | CA1 (0.52) | CES2CES1CA1CA2CA4 | |
| Bicarbonate SCHEMBL21630455 | 0.71 | CA1 (0.52) | CES2CES1CA1CA2CA4 | |
| Bicarbonate SCHEMBL28819166 | 0.71 | CA1 (0.52) | CES2CES1CA1CA2CA4 | |
| Trifluoroacetic Acid SCHEMBL7263980 | 0.71 | CES1 (0.37) | CES2CES1CA1CA2CA4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0834513-B1 | Pentafluorophenylazolopyrimidines | BASF AG (DE) | 2002-07-24 | — | — | EP | disclosed |
| US-5965561-A | FUNGICIDES | AMERICAN CYANAMID COMPANY (US) | 1999-10-12 | — | — | US | disclosed |
| US-5817663-A | FUNGICIDES | AMERICAN CYANAMID COMPANY (US) | 1998-10-06 | — | — | US | disclosed |
| EP-0834513-A2 | Pentafluorophenylazolopyrimidines | American Cyanamid Company (US) | 1998-04-08 | — | — | EP | disclosed |