Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 8/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 7/20 | 0.34 |
| ▸ | CTSA | P10619 | 5/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.31 |
| ▸ | MPO | P05164 | 1/20 | 0.31 |
| ▸ | PTGIR | P43119 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3241850 | 0.92 | HDAC1 (0.34) | HDAC1HDAC3CTSACDK9MPO | |
| SCHEMBL3233951 | 0.85 | HDAC3 (0.42) | HDAC1HDAC3PTGIRNPC1RAB9A | |
| SCHEMBL3236826 | 0.81 | KDM4E (0.38) | HDAC1HDAC3KDM4ENPC1MAPT | |
| SCHEMBL3237150 | 0.81 | HDAC1 (0.41) | HDAC1HDAC3MPOKDM4ENPC1 | |
| SCHEMBL3232050 | 0.78 | HDAC3 (0.40) | HDAC1HDAC3MPOPTGIRNPC1 | |
| SCHEMBL3230345 | 0.78 | MLYCD (0.35) | HDAC1HDAC3MPO | |
| SCHEMBL3228414 | 0.73 | FAAH (0.35) | HDAC1HDAC3MPONCOR2 | |
| SCHEMBL3233610 | 0.73 | KDM4E (0.38) | HDAC1HDAC3KDM4ENPC1MAPT | |
| SCHEMBL3233744 | 0.73 | KMT2A (0.47) | HDAC1HDAC3KDM4ENPC1MAPT | |
| SCHEMBL3230365 | 0.72 | HDAC1 (0.43) | HDAC1HDAC3MPONPC1RAB9A |
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 | disclosed |