Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 5/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | PTGES | O14684 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.35 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2685468 | 0.77 | HDAC1 (0.51) | HDAC3HDAC2HDAC1 | |
| SCHEMBL2687804 | 0.76 | HDAC1 (0.50) | HDAC3HDAC2HDAC1 | |
| SCHEMBL5547754 | 0.72 | ABCB1 (0.58) | ABCB1HDAC3HDAC2HDAC1 | |
| SCHEMBL2684600 | 0.70 | HDAC2 (0.61) | ABCB1HDAC3HDAC2HDAC1 | |
| SCHEMBL2685411 | 0.69 | HDAC1 (0.52) | ABCB1HDAC3HDAC2HDAC1NPC1 | |
| SCHEMBL14775594 | 0.69 | RAB9A (0.51) | ABCB1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL8230870 | 0.68 | HDAC2 (0.41) | ABCB1HDAC3HDAC2HDAC1 | |
| SCHEMBL2686788 | 0.67 | HDAC2 (0.57) | HDAC3HDAC2HDAC1 | |
| SCHEMBL2686378 | 0.67 | HDAC1 (0.54) | HDAC3HDAC2HDAC1 | |
| SCHEMBL2686695 | 0.66 | HDAC1 (0.53) | HDAC3HDAC2HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1991226-B1 | INHIBITORS OF HISTONE DEACETYLASE | MERCK SHARP & DOHME (US) | 2013-03-20 | — | — | EP | disclosed |