Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16824815 | 0.87 | ALOX5AP (0.39) | HDAC1HDAC6HDAC5POLBTP53 | |
| SCHEMBL16821789 | 0.80 | HDAC1 (0.42) | HDAC1HDAC6HDAC5ALOX5APFEN1 | |
| SCHEMBL19857040 | 0.75 | PDE4A (0.46) | POLBHSD17B10AKR1C3AKR1C2ALOX5AP | |
| SCHEMBL16821744 | 0.69 | ALOX5AP (0.39) | HDAC1HDAC6HDAC5ALOX5APFEN1 | |
| SCHEMBL16821903 | 0.67 | HDAC1 (0.35) | HDAC1HDAC6HDAC5SMN1; SMN2LMNA | |
| Trifluoroacetic Acid SCHEMBL29988318 | 0.65 | ATF4 (0.43) | MAPTTDP1ALDH1A1L3MBTL1 | |
| SCHEMBL4553905 | 0.64 | AKR1C3 (0.45) | AKR1C3AKR1C2ALOX5APFEN1 | |
| SCHEMBL5121382 | 0.62 | APP (0.57) | MEN1KMT2AAKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL18004308 | 0.61 | IDO1 (0.39) | HDAC1HDAC6HDAC5HSD17B10NPC1 | |
| SCHEMBL22421796 | 0.61 | AKR1C3 (0.50) | AKR1C3AKR1C2ALOX5APFEN1 |
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-3092234-A1 | FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS | Gilead Sciences, Inc. (US) | 2016-11-16 | — | — | EP | disclosed |
| WO-2015094670-A1 | FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS | GILEAD SCIENCES, INC. (US) | 2015-06-25 | — | — | WO | disclosed |