Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 11/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 11/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 11/20 | 0.52 |
| ▸ | HTR1A | P08908 | 7/20 | 0.52 |
| ▸ | QDPR | P09417 | 1/20 | 0.47 |
| ▸ | HTR6 | P50406 | 5/20 | 0.46 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2049316 | 0.87 | CA3 (0.48) | SLC6A2SLC6A4SLC6A3HTR1ACHRNB2 | |
| SCHEMBL3543969 | 0.86 | SLC6A2 (0.52) | SLC6A2SLC6A4SLC6A3HTR1AQDPR | |
| Hydrochloric Acid SCHEMBL23295182 | 0.84 | SLC6A2 (0.51) | SLC6A2SLC6A4SLC6A3HTR1AQDPR | |
| SCHEMBL30232333 | 0.81 | SLC6A2 (0.55) | SLC6A2SLC6A4SLC6A3HTR1AHTR6 | |
| SCHEMBL187795 | 0.81 | SLC6A2 (0.55) | SLC6A2SLC6A4SLC6A3HTR1AHTR6 | |
| SCHEMBL8315420 | 0.81 | QDPR (0.50) | QDPRCHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL2801750 | 0.80 | SLC6A2 (0.54) | SLC6A2SLC6A4SLC6A3HTR1AHTR6 | |
| Hydrochloric Acid SCHEMBL1979199 | 0.80 | QDPR (0.49) | QDPRCHRNB2CHRNA4 | |
| SCHEMBL3386544 | 0.79 | SLC6A2 (0.52) | SLC6A2SLC6A4SLC6A3HTR1AHTR6 | |
| SCHEMBL5584146 | 0.79 | HTR2C (0.58) | SLC6A2SLC6A4SLC6A3HTR1AHTR6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2316829-A1 | Heterocyclic derivatives as modulators of ion channels | Vertex Pharmaceuticals Incorporated (US) | 2011-05-04 | — | — | EP | disclosed |
| EP-2308872-A1 | Heterocyclic derivatives as modulators of ion channels | Vertex Pharmaceuticals Incorporated (US) | 2011-04-13 | — | — | EP | disclosed |
| WO-2007075895-A2 | HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-07-05 | — | — | WO | disclosed |