Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 11/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 10/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 7/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.49 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.49 |
| ▸ | CCNC | P24863 | 1/20 | 0.46 |
| ▸ | CDK8 | P49336 | 1/20 | 0.46 |
| ▸ | PRSS12 | P56730 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12279241 | 0.90 | HDAC2 (0.51) | NAMPTHDAC2HDAC1HDAC3HDAC4 | |
| SCHEMBL20592223 | 0.80 | HDAC1 (0.65) | HDAC2HDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL18361289 | 0.80 | HDAC1 (0.65) | HDAC2HDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL18361375 | 0.80 | HDAC1 (0.65) | HDAC2HDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL8349019 | 0.80 | NAMPT (0.51) | NAMPTHDAC2HDAC1HDAC3HDAC4 | |
| Hydrochloric Acid SCHEMBL20592250 | 0.79 | HDAC1 (0.64) | HDAC2HDAC1HDAC3HDAC4HDAC7 | |
| Hydrochloric Acid SCHEMBL20592251 | 0.79 | HDAC1 (0.64) | HDAC2HDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL18361042 | 0.79 | HDAC1 (0.69) | HDAC2HDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL20592211 | 0.79 | HDAC1 (0.54) | HDAC2HDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL18361242 | 0.79 | HDAC1 (0.54) | HDAC2HDAC1HDAC3HDAC4HDAC7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004058234-A2 | PHARMACEUTICAL COMBINATIONS OF PHTHALAZINE VEGF INHIBITORS AND BENZAMIDE HDAC INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 2004-07-15 | — | — | WO | disclosed |