Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 5/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | MTOR | P42345 | 3/20 | 0.44 |
| ▸ | LSS | P48449 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 3/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4341863 | 0.88 | HDAC3 (0.48) | HDAC1HDAC3HDAC2HDAC6HDAC10 | |
| SCHEMBL4357500 | 0.85 | HDAC3 (0.46) | HDAC1HDAC3HDAC2HDAC6HDAC10 | |
| SCHEMBL4353865 | 0.81 | EPHX2 (0.46) | HDAC3HDAC6HDAC8MTORTRPV1 | |
| SCHEMBL4354458 | 0.80 | MTOR (0.42) | HDAC1HDAC3HDAC2HDAC6HDAC10 | |
| SCHEMBL4354019 | 0.80 | HDAC1 (0.45) | HDAC1HDAC3HDAC2HDAC6HDAC10 | |
| SCHEMBL4357663 | 0.79 | HDAC1 (0.44) | HDAC1HDAC3HDAC2HDAC6HDAC10 | |
| SCHEMBL3298777 | 0.79 | CCR2 (0.47) | HDAC1HDAC3HDAC2HDAC6HDAC10 | |
| SCHEMBL3300941 | 0.78 | P2RX1 (0.48) | HDAC1HDAC3HDAC2HDAC6HDAC10 | |
| SCHEMBL3300225 | 0.78 | RORC (0.49) | HDAC1HDAC3HDAC2HDAC6HDAC10 | |
| SCHEMBL4354911 | 0.77 | PDE2A (0.40) | HDAC1HDAC3HDAC2HDAC6HDAC10 |
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-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |