Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 6/20 | 0.34 |
| ▸ | BCHE | P06276 | 5/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | NNMT | P40261 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3241826 | 0.86 | HDAC1 (0.36) | HDAC1HDAC3POLBTDP1ACHE | |
| SCHEMBL3262238 | 0.85 | HDAC3 (0.35) | HDAC1HDAC3POLBTDP1ACHE | |
| SCHEMBL1064934 | 0.81 | HDAC3 (0.42) | HDAC1HDAC3TDP1ACHEHDAC4 | |
| SCHEMBL3234068 | 0.80 | ACHE (0.46) | HDAC1HDAC3TDP1ACHEBCHE | |
| SCHEMBL3238235 | 0.79 | HDAC3 (0.33) | HDAC1HDAC3ACHEPDCD1CD274 | |
| SCHEMBL3233725 | 0.76 | ALDH1A1 (0.39) | HDAC1HDAC3ACHEBCHEHDAC4 | |
| SCHEMBL3242812 | 0.73 | ALDH1A1 (0.40) | HDAC1HDAC3POLBTDP1MEN1 | |
| SCHEMBL16369620 | 0.73 | ALDH1A1 (0.40) | HDAC1HDAC3POLBTDP1MEN1 | |
| SCHEMBL2122406 | 0.72 | HDAC1 (0.42) | HDAC1HDAC3ACHEHDAC4HDAC7 | |
| SCHEMBL3236792 | 0.71 | HDAC1 (0.42) | HDAC1HDAC3HDAC4HDAC7HDAC2 |
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 |