Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ANO1 | Q5XXA6 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 3/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16263777 | 0.76 | CNR2 (0.51) | ALDH1A1MAPTKMT2AMEN1HTT | |
| SCHEMBL19494602 | 0.69 | JAK2 (0.34) | ALDH1A1MAPTKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL5467520 | 0.65 | ANO1 (0.67) | ALDH1A1KMT2AMEN1HTTANO1 | |
| SCHEMBL16337834 | 0.65 | CFTR (0.54) | ALDH1A1MAPTKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL19494391 | 0.63 | IKBKB (0.34) | ALDH1A1MAPTKMT2AMEN1HPGD | |
| SCHEMBL18044873 | 0.62 | ALDH1A1 (0.40) | ALDH1A1MAPTKMT2AMEN1HTT | |
| SCHEMBL8289832 | 0.61 | ANO1 (0.92) | ALDH1A1MAPTKMT2AMEN1ANO1 | |
| SCHEMBL3924390 | 0.61 | ANO1 (0.97) | ALDH1A1MAPTKMT2AMEN1ANO1 | |
| SCHEMBL8289690 | 0.60 | ANO1 (1.00) | ALDH1A1MAPTKMT2AMEN1ANO1 | |
| SCHEMBL18902108 | 0.59 | ALDH1A1 (0.40) | ALDH1A1MAPTKMT2AMEN1HTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2994463-B1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS | GALAPAGOS NV (BE) | 2017-10-25 | — | — | EP | disclosed |