Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.73 |
| ▸ | CA7 | P43166 | 3/20 | 0.73 |
| ▸ | CA9 | Q16790 | 3/20 | 0.73 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.73 |
| ▸ | CA1 | P00915 | 2/20 | 0.73 |
| ▸ | CA2 | P00918 | 1/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | TTR | P02766 | 1/20 | 0.62 |
| ▸ | DPP4 | P27487 | 1/20 | 0.62 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.57 |
| ▸ | MAOB | P27338 | 3/20 | 0.56 |
| ▸ | CA4 | P22748 | 2/20 | 0.54 |
| ▸ | CA6 | P23280 | 2/20 | 0.54 |
| ▸ | CA5A | P35218 | 2/20 | 0.54 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.54 |
| ▸ | MET | P08581 | 1/20 | 0.54 |
| ▸ | FDPS | P14324 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL4613510 | 1.00 | CA12 (0.73) | CA12CA7CA9CA14CA1 | |
| SCHEMBL6333864 | 0.92 | CA12 (0.63) | CA12CA7CA9CA14CA1 | |
| SCHEMBL13957401 | 0.91 | CA12 (0.86) | CA12CA7CA9CA14CA1 | |
| SCHEMBL5059085 | 0.91 | CA12 (0.86) | CA12CA7CA9CA14CA1 | |
| SCHEMBL10939791 | 0.91 | CA12 (0.86) | CA12CA7CA9CA14CA1 | |
| Ethyl Cinnamate SCHEMBL28127825 | 0.90 | PTGS2 (0.62) | CA12CA7CA9CA14CA1 | |
| SCHEMBL2959587 | 0.90 | CA12 (0.73) | CA12CA7CA9CA14CA1 | |
| SCHEMBL2959584 | 0.90 | CA12 (0.73) | CA12CA7CA9CA14CA1 | |
| SCHEMBL1260527 | 0.89 | CA12 (0.83) | CA12CA7CA9CA14CA1 | |
| SCHEMBL3143890 | 0.89 | CA12 (0.83) | CA12CA7CA9CA14CA1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0843666-B1 | 4-SUBSTITUTED 5-POLYCYCLYLPYRIMIDINE HERBICIDES | DOW AGROSCIENCES LLC (US) | 2001-05-16 | — | — | EP | disclosed |
| CN-1188473-A | 4-substituted 5-polycyclylpyrimidine herbicides | DOWELANCO (US) | 1998-07-22 | — | — | CN | disclosed |
| US-5780465-A | 4-substituted 5-polycyclylpyrimidine herbicides | DOW AGROSCIENCES LLC (US) | 1998-07-14 | — | — | US | disclosed |
| EP-0843666-A1 | 4-SUBSTITUTED 5-POLYCYCLYLPYRIMIDINE HERBICIDES | DOWELANCO (US) | 1998-05-27 | — | — | EP | disclosed |
| WO-1997037978-A1 | 4-SUBSTITUTED 5-POLYCYCLYLPYRIMIDINE HERBICIDES | DOWELANCO (US) | 1997-10-16 | — | — | WO | disclosed |