Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | APLNR | P35414 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL8811250 | 0.81 | ALDH1A1 (0.43) | CYP1A1CYP1B1CYP1A2ALDH1A1APLNR | |
| SCHEMBL8810408 | 0.79 | CA12 (0.30) | — | |
| SCHEMBL8812936 | 0.77 | ALDH1A1 (0.37) | ALDH1A1CYP3A4KMT2AKDM4EGAA | |
| SCHEMBL8809443 | 0.75 | PKM (0.35) | ERN1ALDH1A1LMNACYP3A4MEN1 | |
| SCHEMBL8813933 | 0.74 | TP53 (0.39) | CYP1A2LMNACYP3A4MEN1KMT2A | |
| SCHEMBL8811978 | 0.72 | GAA (0.39) | ALDH1A1CYP3A4KDM4EGAAHSD17B10 | |
| SCHEMBL8811038 | 0.72 | ABCB11 (0.46) | CYP1A2LMNAMAPT | |
| SCHEMBL8810946 | 0.72 | TRPV4 (0.38) | ERN1ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL8809338 | 0.72 | ERN1 (0.39) | ERN1ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL8813546 | 0.72 | MAPT (0.42) | CYP1A2ALDH1A1CYP3A4MEN1KMT2A |
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 |