Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.46 |
| ▸ | CA1 | P00915 | 6/20 | 0.46 |
| ▸ | CA2 | P00918 | 6/20 | 0.46 |
| ▸ | CA7 | P43166 | 6/20 | 0.46 |
| ▸ | CA9 | Q16790 | 6/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL521961 | 0.89 | CA12 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14393304 | 0.87 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9785655 | 0.74 | CA12 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10654634 | 0.72 | FFAR1 (0.39) | — | |
| SCHEMBL9785436 | 0.72 | ESR1 (0.47) | CA12CA1CA2CA7CA9 | |
| Ammonia Solution, Strong SCHEMBL27753144 | 0.68 | TSHR (0.36) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31590843 | 0.68 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8884119 | 0.67 | MAPK1 (0.37) | CA12CA1CA2CA7CA9 | |
| SCHEMBL523613 | 0.67 | CA12 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL17965813 | 0.67 | CA12 (0.54) | CA12CA1CA2CA7CA9 |
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-0295839-A2 | Pyrimidine derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-12-21 | — | — | EP | claimed |
| US-5010200-A | Insecticide intermediates | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-04-23 | — | — | US | disclosed |
| US-4962109-A | MITICIDES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-10-09 | — | — | US | disclosed |
| EP-0295839-A2 | Pyrimidine derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-12-21 | — | — | EP | disclosed |