Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ADH1B | P00325 | 1/20 | 0.38 |
| ▸ | ADH1C | P00326 | 1/20 | 0.38 |
| ▸ | ADH1A | P07327 | 1/20 | 0.38 |
| ▸ | ADH4 | P08319 | 1/20 | 0.38 |
| ▸ | ADH7 | P40394 | 1/20 | 0.38 |
| ▸ | LPAR3 | Q9UBY5 | 4/20 | 0.33 |
| ▸ | LPAR2 | Q9HBW0 | 4/20 | 0.33 |
| ▸ | LPAR1 | Q92633 | 3/20 | 0.33 |
| ▸ | ANPEP | P15144 | 1/20 | 0.33 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.33 |
| ▸ | SAT1 | P21673 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18501123 | 0.92 | SAT1 (0.38) | CA12CA1CA2MMP1MMP2 | |
| SCHEMBL3488672 | 0.78 | — | — | |
| SCHEMBL17859165 | 0.77 | LPAR3 (0.44) | LPAR3LPAR2LPAR1SAT1ENPP2 | |
| SCHEMBL18501083 | 0.76 | ANPEP (0.40) | CA12CA1CA2MMP1MMP2 | |
| SCHEMBL18501084 | 0.72 | ANPEP (0.43) | CA12CA1CA2MMP1MMP2 | |
| SCHEMBL7946281 | 0.71 | ADH1B (0.42) | CA12CA1CA2MMP1MMP2 | |
| SCHEMBL18501082 | 0.71 | S1PR4 (0.37) | MMP2MMP8LPAR3LPAR2LPAR1 | |
| SCHEMBL4098549 | 0.70 | SAT1 (0.53) | CA12CA1CA2CA9LPAR3 | |
| SCHEMBL3429685 | 0.70 | LPAR3 (0.39) | LPAR3LPAR2LPAR1SAT1POLB | |
| SCHEMBL18501086 | 0.70 | LPAR3 (0.43) | LPAR3LPAR2LPAR1SAT1KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9567358-B2 | Methods of treatment using N-(3-fluorophenyl)-2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}-quinazolin-4-yl)amino]-1H-pyrazol-5-yl}acetamide | ASTRAZENECA AB (SE) | 2017-02-14 | — | — | US | disclosed |