Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCP | P55072 | 1/20 | 0.52 |
| ▸ | TDO2 | P48775 | 1/20 | 0.49 |
| ▸ | DHFR | P00374 | 1/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | CLK1 | P49759 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14650182 | 0.82 | MAP4K4 (0.54) | NPC1RAB9AMAP4K4MEN1KMT2A | |
| SCHEMBL23539672 | 0.82 | VCP (0.55) | VCPTDO2DHFRFFAR1NPC1 | |
| SCHEMBL30041533 | 0.82 | VCP (0.55) | VCPTDO2DHFRFFAR1NPC1 | |
| SCHEMBL11619630 | 0.82 | FFAR1 (0.51) | VCPTDO2DHFRFFAR1NPC1 | |
| SCHEMBL4528767 | 0.81 | RAB9A (0.47) | NPC1TP53TSHRNFKB1RAB9A | |
| SCHEMBL20600253 | 0.80 | FFAR1 (0.52) | VCPTDO2FFAR1NPC1TP53 | |
| SCHEMBL29393846 | 0.80 | FFAR1 (0.52) | VCPTDO2FFAR1NPC1TP53 | |
| SCHEMBL4537426 | 0.80 | RAB9A (0.54) | TDO2DHFRNPC1TP53RAB9A | |
| SCHEMBL1544316 | 0.79 | VCP (0.52) | VCPFFAR1NPC1TP53TSHR | |
| SCHEMBL20242220 | 0.79 | TAAR1 (0.46) | FFAR1IDO1SLC9A1MAP4K4MEN1 |
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-2018106643-A1 | HETEROCYCLIC AZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2018-06-14 | — | — | WO | disclosed |