Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22462698 | 0.95 | PKM (0.47) | PKMMAPTALOX5POLBNPC1 | |
| SCHEMBL8806385 | 0.87 | PKM (0.53) | PKMMAPTALOX5POLBNPC1 | |
| SCHEMBL3135298 | 0.86 | EPHX2 (0.57) | PKMMAPTALOX5POLBNPC1 | |
| SCHEMBL22328914 | 0.85 | MAPT (0.45) | PKMMAPTALOX5POLBNPC1 | |
| SCHEMBL22328919 | 0.81 | MAPT (0.50) | PKMMAPTALOX5POLBNPC1 | |
| SCHEMBL5670146 | 0.81 | EPHX2 (0.64) | MAPTALOX5EPHX2 | |
| SCHEMBL3131908 | 0.80 | CYP4F2 (0.52) | PKMMAPTALOX5EPHX2ALDH1A1 | |
| SCHEMBL11865891 | 0.77 | USP2 (0.46) | PKMMAPTALOX5POLBNPC1 | |
| SCHEMBL4138469 | 0.77 | MAPT (0.56) | PKMMAPTALOX5POLBNPC1 | |
| SCHEMBL10945170 | 0.77 | CHRM2 (0.45) | PKMMAPTALOX5POLBNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113167695-A | Device for collecting volatile organic compounds | 法国由内政部代表 | 2021-07-23 | — | — | CN | disclosed |