Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | MTOR | P42345 | 2/20 | 0.44 |
| ▸ | LSS | P48449 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.39 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL4354911 | 0.88 | PDE2A (0.40) | HDAC3HDAC1HDAC2HDAC10HDAC11 | |
| SCHEMBL4357663 | 0.88 | HDAC1 (0.44) | HDAC3HDAC1HDAC2HDAC10HDAC11 | |
| SCHEMBL4341863 | 0.88 | HDAC3 (0.48) | HDAC3HDAC1HDAC2HDAC10HDAC11 | |
| SCHEMBL4351640 | 0.85 | HDAC1 (0.49) | HDAC3HDAC1HDAC2HDAC10HDAC11 | |
| SCHEMBL4351483 | 0.85 | MTOR (0.42) | HDAC3HDAC1HDAC2HDAC10HDAC11 | |
| SCHEMBL3300941 | 0.82 | P2RX1 (0.48) | HDAC3HDAC1HDAC2HDAC10HDAC11 | |
| SCHEMBL4359460 | 0.81 | EPHX2 (0.46) | MTORNPC1RAB9AMEN1KMT2A | |
| SCHEMBL4347497 | 0.81 | MAPT (0.47) | HDAC3HDAC1HDAC2HDAC10HDAC11 | |
| SCHEMBL3302807 | 0.81 | TSHR (0.47) | MTORMEN1KMT2ATRPV1P2RX1 | |
| SCHEMBL4355927 | 0.80 | LSS (0.44) | HDAC3HDAC1HDAC2HDAC10HDAC11 |
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 |