Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 4/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1938965 | 0.83 | HDAC3 (0.85) | HDAC3HDAC1 | |
| SCHEMBL3261607 | 0.80 | HDAC3 (0.54) | HDAC3HDAC1 | |
| SCHEMBL15480445 | 0.80 | ALDH1A1 (0.67) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL15480450 | 0.80 | ALDH1A1 (0.67) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL15480447 | 0.80 | ALDH1A1 (0.67) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL15480448 | 0.80 | ALDH1A1 (0.67) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL7939194 | 0.79 | METAP1 (0.51) | HDAC3HDAC1ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL7937288 | 0.78 | HDAC3 (0.53) | HDAC3HDAC1 | |
| SCHEMBL15480444 | 0.78 | ALDH1A1 (0.68) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL3238234 | 0.78 | HDAC1 (0.70) | 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 2 patents. 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 |
| WO-2010028193-A1 | COMPOUNDS INCLUDING PIMELIC ACID DERIVATIVES AS HDAC INHIBITORS | REPLIGEN CORPORATION (US) | 2010-03-11 | — | — | WO | disclosed |