Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 3/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.37 |
| ▸ | CDK2 | P24941 | 2/20 | 0.37 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | RHOC | P08134 | 1/20 | 0.34 |
| ▸ | RHOA | P61586 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | TACR2 | P21452 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9920694 | 0.93 | TRPV1 (0.43) | HDAC4HDAC6TRPV1CCNA2CDK2 | |
| SCHEMBL9921137 | 0.91 | CCNA2 (0.41) | HDAC4HDAC6CCNA2CDK2CCNA1 | |
| SCHEMBL9921132 | 0.91 | HDAC4 (0.40) | HDAC4HDAC6TRPV1GABRA5CNR2 | |
| SCHEMBL9920882 | 0.89 | CNR2 (0.39) | HDAC4HDAC6CCNA2CDK2CCNA1 | |
| SCHEMBL9921025 | 0.89 | HDAC6 (0.39) | HDAC4HDAC6TRPV1CDK2DYRK1A | |
| SCHEMBL9921119 | 0.85 | MAPK1 (0.39) | HDAC4HDAC6GABRA5GSK3BKCNH2 | |
| SCHEMBL9920883 | 0.84 | ALDH1A1 (0.47) | GSK3BKCNH2 | |
| SCHEMBL9920841 | 0.84 | CCNA2 (0.41) | HDAC4HDAC6TRPV1CCNA2CDK2 | |
| SCHEMBL19041506 | 0.84 | CCNA2 (0.35) | CCNA2CDK2CCNA1RHOCRHOA | |
| SCHEMBL9920693 | 0.83 | TRPV1 (0.42) | HDAC4HDAC6TRPV1CCNA2CDK2 |
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-9139532-B2 | Pyrazolyl guanidine F1F0-atpase inhibitors and therapeutic uses thereof | LYCERA CORPORATION (US) | 2015-09-22 | — | — | US | disclosed |