Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A7 | Q99884 | 6/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | FASN | P49327 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 5/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | HBB | P68871 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18530503 | 0.87 | PAK4 (0.41) | SLC6A7FASNALDH1A1SMN1; SMN2MAPK1 | |
| SCHEMBL18530601 | 0.83 | SLC6A7 (0.43) | SLC6A7SLC6A3HPGDMGLLFASN | |
| SCHEMBL21143154 | 0.82 | SLC6A7 (0.41) | SLC6A7SLC6A3HPGDMGLLFASN | |
| SCHEMBL18530622 | 0.81 | FASN (0.38) | MGLLFASNALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL18542118 | 0.78 | L3MBTL1 (0.38) | SLC6A7SLC6A3HPGDMGLLHTR1A | |
| SCHEMBL18530527 | 0.77 | SLC6A7 (0.52) | SLC6A7SLC6A3HPGDMGLLFASN | |
| SCHEMBL18530639 | 0.77 | SLC6A7 (0.52) | SLC6A7SLC6A3HPGDMGLLFASN | |
| SCHEMBL18530652 | 0.77 | PAK4 (0.38) | HPGDFASNSMN1; SMN2HTTHTR1A | |
| SCHEMBL18530546 | 0.77 | HPGD (0.35) | HPGDSMN1; SMN2KMT2ATSHRHTT | |
| SCHEMBL16345438 | 0.76 | PAK4 (0.42) | HPGDFASNUSP2ALDH1A1SMN1; SMN2 |
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-3337796-A1 | 3-(PYRIDIN-3-YL)-ACRYLAMIDE AND N-(PYRIDIN-3-YL)-ACRYLAMIDE DERIVATIVES AND THEIR USE AS PAK OR NAMPT MODULATORS | Karyopharm Therapeutics, Inc. (US) | 2018-06-27 | — | — | EP | disclosed |
| WO-2017031213-A1 | 3-(PYRIDIN-3-YL)-ACRYLAMIDE AND N-(PYRIDIN-3-YL)-ACRYLAMIDE DERIVATIVES AND THEIR USE AS PAK OR NAMPT MODULATORS | Karyopharm Therapeutics Inc. (US) | 2017-02-23 | — | — | WO | disclosed |