Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.65 |
| ▸ | CA2 | P00918 | 5/20 | 0.65 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.65 |
| ▸ | PDE4A | P27815 | 7/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 7/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 7/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 7/20 | 0.45 |
| ▸ | CA12 | O43570 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10053233 | 0.78 | CA1 (0.62) | CA1CA2PDE3APDE4APDE4B | |
| SCHEMBL14470675 | 0.78 | CA1 (0.62) | CA1CA2PDE3APDE4APDE4B | |
| Tavaborole SCHEMBL596052 | 0.78 | CA1 (1.00) | CA1CA2PDE3APDE4APDE4B | |
| SCHEMBL15186225 | 0.78 | CA1 (0.62) | CA1CA2PDE3APDE4APDE4B | |
| Tavaborole SCHEMBL29372574 | 0.78 | CA1 (1.00) | CA1CA2PDE3APDE4APDE4B | |
| SCHEMBL19171231 | 0.78 | CA1 (1.00) | CA1CA2PDE3APDE4APDE4B | |
| Tavaborole SCHEMBL500016 | 0.78 | CA1 (1.00) | CA1CA2PDE3APDE4APDE4B | |
| SCHEMBL30131192 | 0.77 | CA1 (0.61) | CA1CA2PDE3APDE4APDE4B | |
| SCHEMBL8236696 | 0.77 | CA1 (0.61) | CA1CA2PDE3APDE4APDE4B | |
| SCHEMBL10053182 | 0.77 | CA1 (0.61) | CA1CA2PDE3APDE4APDE4B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3261437-B1 | FUNGICIDAL COMPOUNDS AND COMPOSITIONS | AGROFRESH INC (US) | 2019-09-11 | — | — | EP | disclosed |
| WO-2016130658-A1 | FUNGICIDAL COMPOUNDS AND COMPOSITIONS | AGROFRESH INC. (US) | 2016-08-18 | — | — | WO | disclosed |