Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP1 | P53582 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17538224 | 0.86 | HDAC3 (0.69) | METAP1HDAC3HDAC1L3MBTL1 | |
| SCHEMBL7935269 | 0.84 | HDAC1 (0.51) | ALDH1A1LMNAHDAC3HDAC1NPC1 | |
| SCHEMBL7935556 | 0.84 | — | — | |
| SCHEMBL7940675 | 0.82 | KCNQ4 (0.47) | LMNAHDAC3HDAC1RAB9A | |
| SCHEMBL3240756 | 0.79 | HDAC3 (0.59) | ALDH1A1LMNAHDAC3HDAC1NPC1 | |
| SCHEMBL7940673 | 0.79 | USP2 (0.52) | ALDH1A1LMNARAB9AUSP2MAPK1 | |
| SCHEMBL31203344 | 0.78 | L3MBTL1 (0.64) | METAP1ALDH1A1LMNANPC1RAB9A | |
| SCHEMBL7929328 | 0.77 | KCNQ4 (0.43) | HDAC3HDAC1MAPK1TP53L3MBTL1 | |
| SCHEMBL7924031 | 0.77 | HDAC3 (0.64) | HDAC3HDAC1 | |
| SCHEMBL7935007 | 0.74 | HDAC3 (0.69) | HDAC3HDAC1 |
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 |