Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 6/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA3 | P07451 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | CA6 | P23280 | 2/20 | 0.43 |
| ▸ | CA5A | P35218 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ATR | Q13535 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12188971 | 0.85 | HSD11B1 (0.42) | HSD11B1SMN1; SMN2GAACA12CA1 | |
| SCHEMBL2035381 | 0.84 | ATR (0.48) | HSD11B1SMN1; SMN2GAAATRATRIP | |
| SCHEMBL12170349 | 0.81 | ASIC3 (0.51) | HSD11B1SMN1; SMN2GAACA12CA1 | |
| Hydrochloric Acid SCHEMBL1721752 | 0.80 | ASIC3 (0.50) | HSD11B1SMN1; SMN2GAACA12CA1 | |
| SCHEMBL29574989 | 0.78 | SCN9A (0.47) | SCN9AATRATRIPALDH1A1NR3C2 | |
| SCHEMBL1721714 | 0.78 | SCN9A (0.47) | SCN9AATRATRIPALDH1A1NR3C2 | |
| SCHEMBL5914189 | 0.76 | MEN1 (0.60) | CNR1 | |
| SCHEMBL12169973 | 0.75 | ALDH1A1 (0.47) | HSD11B1SMN1; SMN2GAALMNAHTT | |
| Hydrochloric Acid SCHEMBL29100611 | 0.74 | MEN1 (0.58) | CNR1 | |
| SCHEMBL12169703 | 0.73 | ALDH1A1 (0.52) | SMN1; SMN2GAAL3MBTL1LMNAHTT |
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-3208272-A1 | HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2017-08-23 | — | — | EP | disclosed |
| EP-2774925-A1 | Pharmaceutical composition containing a heterocyclic modulator of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2014-09-10 | — | — | EP | disclosed |