Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 5/20 | 0.32 |
| ▸ | NPC1 | O15118 | 4/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.32 |
| ▸ | RELA | Q04206 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.31 |
| ▸ | PKM | P14618 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20249841 | 0.77 | SMN1; SMN2 (0.51) | RAB9ANPC1SMN1; SMN2MAPTNFKB1 | |
| SCHEMBL20249838 | 0.71 | SMN1; SMN2 (0.39) | RAB9ANPC1SMN1; SMN2MAPTNFKB1 | |
| SCHEMBL20249902 | 0.71 | GAA (0.49) | RAB9ANPC1SMN1; SMN2MAPTNFKB1 | |
| SCHEMBL20249944 | 0.69 | ALDH1A1 (0.37) | RAB9ANPC1SMN1; SMN2MAPTNFKB1 | |
| SCHEMBL17655430 | 0.68 | RAB9A (0.47) | RAB9ANPC1SMN1; SMN2MAPTKDM4E | |
| SCHEMBL7481251 | 0.68 | — | — | |
| SCHEMBL23175824 | 0.67 | IL2 (0.34) | RAB9ANPC1SMN1; SMN2MAPTNFKB1 | |
| SCHEMBL20249697 | 0.67 | NPC1 (0.33) | RAB9ANPC1SMN1; SMN2MAPTNFKB1 | |
| SCHEMBL20250028 | 0.67 | LOXL2 (0.36) | LOXL2RAB9ANPC1SMN1; SMN2MAPT | |
| SCHEMBL19192553 | 0.66 | RAB9A (0.49) | RAB9ANPC1SMN1; SMN2MAPTNFKB1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018107056-A1 | 1,3-SUBSTITUED PYRAZOLE COMPOUNDS USEFUL FOR REDUCTION OF VERY LONG CHAIN FATTY ACIC LEVELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2018-06-14 | — | — | WO | disclosed |