Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 9/20 | 0.46 |
| ▸ | CA2 | P00918 | 9/20 | 0.46 |
| ▸ | CA4 | P22748 | 9/20 | 0.46 |
| ▸ | CA6 | P23280 | 9/20 | 0.46 |
| ▸ | EIF2AK1 | Q9BQI3 | 1/20 | 0.39 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.39 |
| ▸ | CDK1 | P06493 | 2/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.39 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 6/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8946637 | 0.80 | CA1 (0.54) | CA1CA2CA4CA6CCNB2 | |
| SCHEMBL9526921 | 0.78 | CA1 (0.46) | CA1CA2CA4CA6EIF2AK1 | |
| SCHEMBL8946893 | 0.76 | CA1 (0.52) | CA1CA2CA4CA6CCNB2 | |
| SCHEMBL9530865 | 0.72 | CA1 (0.50) | CA1CA2CA4CA6CCNB2 | |
| SCHEMBL9526768 | 0.71 | CA1 (0.59) | CA1CA2CA4CA6PARP1 | |
| SCHEMBL9531330 | 0.71 | CA1 (0.49) | CA1CA2CA4CA6CCNB2 | |
| SCHEMBL12382594 | 0.65 | CA1 (0.69) | CA1CA2CA4CA6CCNB2 | |
| SCHEMBL4627835 | 0.65 | CA1 (0.69) | CA1CA2CA4CA6CCNB2 | |
| SCHEMBL30251048 | 0.65 | CA1 (0.69) | CA1CA2CA4CA6CCNB2 | |
| SCHEMBL2298597 | 0.64 | CA1 (1.00) | CA1CA2CA4CA6CCNB2 |
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-0523141-A4 | SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES | — | 1993-04-21 | — | — | EP | disclosed |
| US-5185360-A | Antioxidants, free radical scavengers | UNIVERSITY OF BATH (GB) | 1993-02-09 | — | — | US | disclosed |
| EP-0523141-A1 | SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES | MERCK & CO. INC. (US) | 1993-01-20 | — | — | EP | disclosed |
| EP-0404536-A1 | Indenoindole compounds I | UNIVERSITY OF BATH (GB) | 1990-12-27 | — | — | EP | disclosed |