Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | HTT | P42858 | 3/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.33 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL2122406 | 0.87 | HDAC1 (0.42) | RAB9ANPC1S1PR4S1PR1NPSR1 | |
| SCHEMBL3234139 | 0.83 | HDAC3 (0.40) | RAB9ANPC1S1PR4S1PR1NPSR1 | |
| SCHEMBL3234145 | 0.82 | HDAC6 (0.34) | RAB9ANPC1S1PR4S1PR1NPSR1 | |
| SCHEMBL6037482 | 0.80 | TRPM8 (0.40) | RAB9ANPC1S1PR4S1PR1NPSR1 | |
| SCHEMBL3234039 | 0.79 | HDAC3 (0.34) | RAB9ANPC1S1PR4S1PR1NPSR1 | |
| SCHEMBL3235399 | 0.79 | HDAC3 (0.35) | RAB9ANPC1S1PR4S1PR1NPSR1 | |
| SCHEMBL9248354 | 0.76 | RAB9A (0.44) | RAB9ANPC1S1PR4S1PR1NPSR1 | |
| SCHEMBL3237799 | 0.76 | HDAC3 (0.36) | RAB9ANPC1S1PR4S1PR1NPSR1 | |
| SCHEMBL3242812 | 0.75 | ALDH1A1 (0.40) | RAB9ANPC1NPSR1HDAC3HDAC1 | |
| SCHEMBL16369620 | 0.75 | ALDH1A1 (0.40) | RAB9ANPC1NPSR1HDAC3HDAC1 |
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 |