Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | GRM4 | Q14833 | 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 | |
|---|---|---|---|---|
| SCHEMBL19120367 | 0.77 | HCAR2 (0.33) | NPC1MAPTRAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL20249793 | 0.77 | NPC1 (0.54) | NPC1MAPTRAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL19192553 | 0.74 | RAB9A (0.49) | NPC1MAPTRAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL20249902 | 0.72 | GAA (0.49) | NPC1MAPTRAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL20250028 | 0.71 | LOXL2 (0.36) | NPC1MAPTRAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL20249599 | 0.68 | NPC1 (0.31) | NPC1MAPTRAB9A | |
| SCHEMBL20250034 | 0.68 | NPC1 (0.59) | NPC1MAPTRAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL20249916 | 0.68 | NPC1 (0.46) | NPC1MAPTRAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL20249789 | 0.67 | LOXL2 (0.35) | NPC1MAPTRAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL3930654 | 0.67 | — | — |
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 |