Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 6/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6878 | 0.91 | PTGES (0.37) | HDAC1HDAC6HDAC8MAPTKMT2A | |
| SCHEMBL6630 | 0.86 | HDAC1 (0.40) | HDAC1HDAC6HDAC8MAPTKMT2A | |
| SCHEMBL6543 | 0.85 | HDAC1 (0.40) | HDAC1HDAC6HDAC8MAPTKMT2A | |
| SCHEMBL1859 | 0.83 | KCNA3 (0.37) | HDAC1HDAC6HDAC8MAPTKMT2A | |
| SCHEMBL6811 | 0.82 | HDAC1 (0.42) | HDAC1HDAC6HDAC8MAPTPPARG | |
| SCHEMBL6934 | 0.81 | FFAR4 (0.46) | HDAC1HDAC6HDAC8ALDH1A1THRB | |
| SCHEMBL11897090 | 0.81 | HDAC1 (0.36) | HDAC1HDAC6HDAC8MAPTKMT2A | |
| SCHEMBL14736 | 0.80 | MAPT (0.36) | HDAC1HDAC6HDAC8MAPTKMT2A | |
| SCHEMBL1403 | 0.79 | LPAR1 (0.41) | HDAC1HDAC6HDAC8MAPTKMT2A | |
| SCHEMBL6082 | 0.78 | HDAC1 (0.34) | HDAC1HDAC6HDAC8MAPTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2483252-A2 | COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | Amira Pharmaceuticals, Inc. (US) | 2012-08-08 | — | — | EP | disclosed |
| WO-2011041694-A2 | COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | AMIRA PHARMACEUTICALS, INC. (US) | 2011-04-07 | — | — | WO | disclosed |