Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | PDE6D | O43924 | 2/20 | 0.40 |
| ▸ | HRAS | P01112 | 1/20 | 0.40 |
| ▸ | KRAS | P01116 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3235350 | 0.92 | MAPT (0.46) | MAPTALDH1A1KDM4EHPGDGAA | |
| SCHEMBL3232050 | 0.81 | HDAC3 (0.40) | ALDH1A1HSD17B10HDAC3HDAC1NPSR1 | |
| SCHEMBL3234061 | 0.81 | HDAC3 (0.34) | MAPTALDH1A1GAAHDAC3HDAC1 | |
| SCHEMBL3236466 | 0.78 | HDAC1 (0.41) | HDAC3HDAC1IKBKB | |
| SCHEMBL3230256 | 0.78 | HDAC3 (0.38) | HDAC3HDAC1 | |
| SCHEMBL3236511 | 0.78 | HDAC3 (0.38) | HDAC3HDAC1MDM2 | |
| SCHEMBL3235399 | 0.76 | HDAC3 (0.35) | MAPTALDH1A1HPGDHDAC3HDAC1 | |
| SCHEMBL3235377 | 0.74 | HDAC3 (0.42) | MAPTALDH1A1GAAHDAC3HDAC1 | |
| SCHEMBL3238241 | 0.74 | MEN1 (0.34) | MAPTALDH1A1GAAHDAC3HDAC1 | |
| SCHEMBL3237799 | 0.73 | HDAC3 (0.36) | MAPTALDH1A1HPGDHDAC3HDAC1 |
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 |