Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.33 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.33 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12125084 | 0.87 | NPC1 (0.38) | NPC1SLC1A3SLC1A2SLC1A1TSHR | |
| SCHEMBL15415183 | 0.83 | NPC1 (0.36) | NPC1SLC1A3SLC1A2SLC1A1TSHR | |
| SCHEMBL10011944 | 0.83 | NPC1 (0.36) | NPC1SLC1A3SLC1A2SLC1A1TSHR | |
| SCHEMBL17264959 | 0.82 | NPC1 (0.35) | NPC1SLC1A3SLC1A2SLC1A1TSHR | |
| SCHEMBL10476492 | 0.82 | SLC1A3 (0.38) | NPC1SLC1A3SLC1A2SLC1A1TSHR | |
| SCHEMBL10476487 | 0.82 | SLC1A3 (0.38) | NPC1SLC1A3SLC1A2SLC1A1TSHR | |
| SCHEMBL10010107 | 0.80 | ACHE (0.38) | NPC1SLC1A3SLC1A2SLC1A1TSHR | |
| SCHEMBL577188 | 0.79 | — | — | |
| SCHEMBL10012518 | 0.79 | ALDH1A1 (0.37) | NPC1TSHRL3MBTL1LMNAZDHHC20 | |
| SCHEMBL17264965 | 0.79 | NPC1 (0.33) | NPC1TSHRZDHHC20 |
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-0457334-B1 | Carbonates of acetylenic alcohols | NIPPON PAINT CO LTD (JP) | 1994-08-10 | — | — | EP | claimed |
| EP-0457334-A1 | Carbonates of acetylenic alcohols | NIPPON PAINT CO., LTD. (JP) | 1991-11-21 | — | — | EP | claimed |