Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 4/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | PKLR | P30613 | 1/20 | 0.50 |
| ▸ | NAMPT | P43490 | 3/20 | 0.49 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12169346 | 0.87 | L3MBTL1 (0.64) | PKML3MBTL1GAASMN1; SMN2ALDH1A1 | |
| SCHEMBL12169395 | 0.86 | KDM2B (0.65) | PKMKDM2BGAATSHRSMN1; SMN2 | |
| SCHEMBL2839179 | 0.86 | RAB9A (0.63) | PKMRAB9ANPC1PKLRGAA | |
| SCHEMBL14325343 | 0.86 | HTR2A (0.59) | PKML3MBTL1GAASMN1; SMN2ALDH1A1 | |
| SCHEMBL15196337 | 0.86 | NAMPT (0.51) | PKMRAB9ANPC1PKLRNAMPT | |
| SCHEMBL12509539 | 0.84 | NAMPT (0.53) | PKMRAB9ANPC1PKLRNAMPT | |
| SCHEMBL880660 | 0.84 | RAB9A (0.53) | PKMRAB9AL3MBTL1GAASMN1; SMN2 | |
| SCHEMBL23884747 | 0.83 | SMN1; SMN2 (0.48) | PKMRAB9ANPC1PKLRNAMPT | |
| SCHEMBL12422709 | 0.83 | POLB (0.68) | L3MBTL1GAATSHRALDH1A1LMNA | |
| SCHEMBL30006510 | 0.81 | PKM (0.51) | PKML3MBTL1GAATSHRSMN1; 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-3696174-A1 | HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2020-08-19 | — | — | EP | disclosed |
| EP-3208272-A1 | HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2017-08-23 | — | — | EP | disclosed |