Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.33 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.33 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 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 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL21445811 | 0.79 | TSHR (0.47) | NPC1TSHRSLC1A3SLC1A2SLC1A1 | |
| SCHEMBL21446025 | 0.78 | NPC1 (0.38) | NPC1TSHRSLC1A3SLC1A2SLC1A1 | |
| SCHEMBL1401583 | 0.78 | NPC1 (0.48) | NPC1TSHRSLC1A3SLC1A2SLC1A1 | |
| SCHEMBL21445812 | 0.78 | SLC1A3 (0.38) | NPC1TSHRSLC1A3SLC1A2SLC1A1 | |
| SCHEMBL21446026 | 0.77 | POLB (0.33) | NPC1TSHRCHRM2CHRM4CHRM5 | |
| SCHEMBL7211908 | 0.77 | — | — | |
| SCHEMBL21445971 | 0.77 | NPC1 (0.37) | NPC1TSHRSLC1A3SLC1A2SLC1A1 | |
| SCHEMBL21445808 | 0.76 | NPC1 (0.32) | NPC1TSHRZDHHC20 | |
| SCHEMBL21446057 | 0.76 | NPC1 (0.35) | NPC1TSHRCHRM2CHRM4CHRM5 | |
| SCHEMBL21445998 | 0.75 | — | — |
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-2019193846-A1 | PRODUCTION METHOD FOR COMPOUND AND COMPOUND | ダイキン工業株式会社 | 2019-10-10 | — | — | WO | disclosed |