Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.60 |
| ▸ | CA1 | P00915 | 5/20 | 0.60 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | PTPRF | P10586 | 1/20 | 0.51 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.51 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | CA5A | P35218 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29184241 | 0.82 | CA2 (0.60) | CA2CA1CYP19A1CHRM2PTPRF | |
| SCHEMBL2027835 | 0.82 | CA2 (0.60) | CA2CA1CYP19A1CHRM2PTPRF | |
| SCHEMBL3563645 | 0.81 | MAPT (0.60) | CA2CA1CYP19A1CHRM2PTPRF | |
| SCHEMBL7223669 | 0.78 | CA2 (0.52) | CA2CA1CYP19A1CHRM2PTPRF | |
| SCHEMBL5356054 | 0.77 | CHRM2 (0.58) | CA2CA1CHRM2PTPRFPTPN2 | |
| SCHEMBL10494697 | 0.77 | MAPT (0.60) | CA2CA1CYP19A1PTPRFPTPN2 | |
| SCHEMBL4661775 | 0.77 | CA2 (0.76) | CA2CA1CYP19A1PTPRFPTPN2 | |
| SCHEMBL1115783 | 0.77 | CA2 (0.55) | CA2CA1CYP19A1CHRM2PTPRF | |
| SCHEMBL628651 | 0.77 | CHRM2 (0.72) | CA2CA1CHRM2PTPRFPTPN2 | |
| SCHEMBL1425484 | 0.76 | LOXL2 (0.53) | CA2CA1CA12CA4LOXL2 |
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-0528633-B1 | Pyrimidinyl acetamides as elastase inhibitors | ZENECA LTD (GB) | 2000-10-18 | — | — | EP | disclosed |
| US-5254558-A | Substituted 1,3-diazines as leukocyte elastase inhibitors | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-10-19 | — | — | US | disclosed |
| EP-0528633-A1 | Pyrimidinyl acetamides as elastase inhibitors | ZENECA LIMITED (GB) | 1993-02-24 | — | — | EP | disclosed |