Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 8/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 8/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.39 |
| ▸ | NCOR2 | Q9Y618 | 5/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16369620 | 1.00 | ALDH1A1 (0.40) | ALDH1A1NPSR1NPC1RAB9AKMT2A | |
| SCHEMBL1064934 | 0.91 | HDAC3 (0.42) | HDAC3HDAC1HDAC2HDAC10HDAC6 | |
| SCHEMBL3230256 | 0.89 | HDAC3 (0.38) | HDAC3HDAC1HDAC2HDAC10HDAC6 | |
| SCHEMBL2122406 | 0.89 | HDAC1 (0.42) | ALDH1A1NPSR1NPC1RAB9AHTT | |
| SCHEMBL1769746 | 0.86 | NPSR1 (0.53) | ALDH1A1NPSR1NPC1RAB9AKMT2A | |
| SCHEMBL10596450 | 0.86 | NPSR1 (0.53) | ALDH1A1NPSR1NPC1RAB9AKMT2A | |
| SCHEMBL4138868 | 0.84 | NPSR1 (0.55) | ALDH1A1NPSR1NPC1RAB9AKMT2A | |
| SCHEMBL3233725 | 0.83 | ALDH1A1 (0.39) | ALDH1A1HDAC3HDAC1HDAC2HDAC10 | |
| SCHEMBL3236792 | 0.80 | HDAC1 (0.42) | NPSR1HTTHDAC3HDAC1HDAC2 | |
| SCHEMBL3234068 | 0.80 | ACHE (0.46) | ALDH1A1NPSR1NPC1RAB9AHDAC3 |
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 |