Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | APLNR | P35414 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | LY96 | Q9Y6Y9 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8810946 | 0.86 | TRPV4 (0.38) | ALDH1A1HTTMEN1KMT2A | |
| SCHEMBL8813933 | 0.82 | TP53 (0.39) | HTTCA1CA2CA12CA7 | |
| SCHEMBL8812936 | 0.82 | ALDH1A1 (0.37) | ALDH1A1CA1CA2CA12CA9 | |
| SCHEMBL8809472 | 0.81 | ERN1 (0.37) | ALDH1A1APLNRCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL8811978 | 0.78 | GAA (0.39) | ALDH1A1TDP1L3MBTL1HSD17B10CYP3A4 | |
| SCHEMBL8811038 | 0.78 | ABCB11 (0.46) | CYP1A2MAPTTDP1L3MBTL1 | |
| SCHEMBL8809338 | 0.78 | ERN1 (0.39) | ALDH1A1HTTMAPTL3MBTL1MEN1 | |
| SCHEMBL8812013 | 0.77 | TTR (0.41) | ALDH1A1HTTADRA2AADRA1AMEN1 | |
| SCHEMBL8811667 | 0.74 | TSHR (0.39) | ALDH1A1HTTCYP1A2MAPTMAPK1 | |
| SCHEMBL8809704 | 0.74 | CTSA (0.42) | ALDH1A1MAPTTDP1L3MBTL1MEN1 |
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-1997000872-A1 | 1,3,8-TRIAZA- AND 3,8-DIAZA-1-OXASPIRO(4,5)DECANE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 1997-01-09 | — | — | WO | disclosed |