Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 8/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | MMP8 | P22894 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3228076 | 0.85 | HDAC3 (0.55) | HDAC1HDAC6HDAC9MMP2MMP8 | |
| SCHEMBL22500344 | 0.76 | KMT2A (0.58) | HDAC1HDAC6HDAC9MMP2MMP8 | |
| SCHEMBL3235296 | 0.72 | HDAC1 (0.70) | HDAC1HDAC6HDAC9LMNAMAPK1 | |
| SCHEMBL22501268 | 0.72 | KMT2A (0.62) | MMP2MMP8LMNAMAPK1CYP1A1 | |
| SCHEMBL3262051 | 0.71 | CYP1A2 (0.43) | LMNAMAPK1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL21484812 | 0.69 | KMT2A (0.63) | MMP2MMP8LMNAMAPK1CYP1A1 | |
| SCHEMBL3238636 | 0.69 | HDAC3 (0.36) | HDAC1HDAC6SMN1; SMN2HDAC3HDAC8 | |
| SCHEMBL3238723 | 0.69 | HDAC1 (0.61) | HDAC1HDAC6HDAC9LMNAMAPK1 | |
| SCHEMBL3235060 | 0.69 | KDM4E (0.38) | HDAC1SMN1; SMN2POLBHDAC3NPC1 | |
| SCHEMBL3235100 | 0.68 | HDAC3 (0.62) | HDAC1SMN1; SMN2HDAC3HDAC2HDAC10 |
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-2010028193-A1 | COMPOUNDS INCLUDING PIMELIC ACID DERIVATIVES AS HDAC INHIBITORS | REPLIGEN CORPORATION (US) | 2010-03-11 | — | — | WO | claimed |