Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.65 |
| ▸ | CA7 | P43166 | 3/20 | 0.65 |
| ▸ | CA9 | Q16790 | 3/20 | 0.65 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.65 |
| ▸ | CA1 | P00915 | 2/20 | 0.65 |
| ▸ | CA2 | P00918 | 1/20 | 0.65 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.61 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | TTR | P02766 | 1/20 | 0.56 |
| ▸ | DPP4 | P27487 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | MMP9 | P14780 | 1/20 | 0.51 |
| ▸ | FDPS | P14324 | 1/20 | 0.49 |
| ▸ | CA4 | P22748 | 2/20 | 0.49 |
| ▸ | CA6 | P23280 | 2/20 | 0.49 |
| ▸ | CA5A | P35218 | 2/20 | 0.49 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.49 |
| ▸ | MET | P08581 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11084168 | 1.00 | CA12 (0.65) | CA12CA7CA9CA14CA1 | |
| SCHEMBL5059085 | 0.85 | CA12 (0.86) | CA12CA7CA9CA14CA1 | |
| SCHEMBL13957401 | 0.85 | CA12 (0.86) | CA12CA7CA9CA14CA1 | |
| SCHEMBL10939791 | 0.85 | CA12 (0.86) | CA12CA7CA9CA14CA1 | |
| SCHEMBL4575817 | 0.84 | HDAC6 (0.69) | CA12CA7CA9CA14CA1 | |
| SCHEMBL4575810 | 0.84 | HDAC6 (0.69) | CA12CA7CA9CA14CA1 | |
| SCHEMBL2959584 | 0.84 | CA12 (0.73) | CA12CA7CA9CA14CA1 | |
| SCHEMBL7842013 | 0.84 | CA12 (0.73) | CA12CA7CA9CA14CA1 | |
| SCHEMBL4613510 | 0.84 | CA12 (0.73) | CA12CA7CA9CA14CA1 | |
| SCHEMBL2959587 | 0.84 | CA12 (0.73) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0039989-B1 | PYRIMIDONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1984-08-29 | — | — | EP | disclosed |
| US-4388317-A | ANTIHISTAMINES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1983-06-14 | — | — | US | disclosed |
| EP-0039989-A1 | Pyrimidone derivatives, processes for their preparation and pharmaceutical compositions containing them | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1981-11-18 | — | — | EP | disclosed |