Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.56 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.48 |
| ▸ | SCN10A | Q9Y5Y9 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.45 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.45 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.45 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | BIRC3 | Q13489 | 1/20 | 0.42 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12266463 | 0.87 | L3MBTL1 (0.50) | ARL3MBTL1MAPTALDH1A1NPC1 | |
| SCHEMBL2884033 | 0.87 | AR (0.52) | ARTAS2R14SCN10AL3MBTL1MAPT | |
| SCHEMBL28111054 | 0.83 | AR (0.52) | ARTAS2R14SCN10AL3MBTL1MAPT | |
| SCHEMBL13736960 | 0.81 | TAS2R14 (0.55) | ARTAS2R14SCN10AMAPTCYP3A4 | |
| SCHEMBL23148069 | 0.81 | MAPT (0.62) | L3MBTL1MAPTALDH1A1LMNAGAA | |
| SCHEMBL30875897 | 0.81 | MAPT (0.68) | ARTAS2R14SCN10AMAPTALDH1A1 | |
| SCHEMBL2694023 | 0.80 | AR (0.50) | ARTAS2R14SCN10AMAPTCYP3A4 | |
| SCHEMBL30595619 | 0.80 | KIF11 (0.51) | ARTAS2R14SCN10AMAPTALDH1A1 | |
| SCHEMBL15577665 | 0.80 | L3MBTL1 (0.50) | ARL3MBTL1MAPTALDH1A1NPC1 | |
| SCHEMBL18481112 | 0.78 | L3MBTL1 (0.52) | L3MBTL1MAPTALDH1A1NPC1RAB9A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107922415-A | Novel bicyclic compounds as dual ATX/CA inhibitors | 豪夫迈·罗氏有限公司 | 2018-04-17 | — | — | CN | claimed |
| CN-107922412-A | Bicyclic compound as ATX inhibitor | 豪夫迈·罗氏有限公司 | 2018-04-17 | — | — | CN | claimed |
| CN-107922415-A | Novel bicyclic compounds as dual ATX/CA inhibitors | 豪夫迈·罗氏有限公司 | 2018-04-17 | — | — | CN | disclosed |
| CN-107922412-A | Bicyclic compound as ATX inhibitor | 豪夫迈·罗氏有限公司 | 2018-04-17 | — | — | CN | disclosed |
| CN-107635995-A | BICYCLIC COMPOUNDS AS ATX INHIBITORS | 豪夫迈·罗氏有限公司 | 2018-01-26 | — | — | CN | disclosed |
| CN-107614505-A | New bicyclo compound as dual ATX/CA inhibitor | 豪夫迈·罗氏有限公司 | 2018-01-19 | — | — | CN | disclosed |