Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17847294 | 1.00 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL19714876 | 0.99 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL19714878 | 0.99 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL19714941 | 0.87 | NPC1 (0.40) | NPC1RAB9ASMN1; SMN2TSHRRECQL | |
| SCHEMBL19714942 | 0.87 | NPC1 (0.40) | NPC1RAB9ASMN1; SMN2TSHRRECQL | |
| SCHEMBL17847280 | 0.84 | NPC1 (0.65) | NPC1RAB9ASMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL17847688 | 0.82 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2ADORA2AADORA3 | |
| SCHEMBL19714855 | 0.82 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2TSHRRECQL | |
| SCHEMBL19714854 | 0.82 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2TSHRRECQL | |
| SCHEMBL17847685 | 0.82 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2ADORA2AADORA3 |
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-3233861-A1 | 6,8-DISUBSTITUTED-9-(HETEROCYCLYL)PURINES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN COSMETIC AND MEDICINAL APPLICATIONS | Ustav Experimentalni Botaniky Av CR, V.V.I. (CZ) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016095880-A1 | 6,8-DISUBSTITUTED-9-(HETEROCYCLYL)PURINES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN COSMETIC AND MEDICINAL APPLICATIONS | USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) | 2016-06-23 | — | — | WO | disclosed |