Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PLA2G4A | P47712 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28781921 | 0.69 | PTGS2 (0.45) | ALDH1A1CYP3A4LMNAKMT2ACYP2C9 | |
| SCHEMBL13994892 | 0.67 | USP2 (0.37) | ALDH1A1LMNAKMT2APLA2G4AGAA | |
| SCHEMBL13479829 | 0.66 | ALDH1A1 (0.34) | ALDH1A1CYP3A4KMT2AHSD17B10TSHR | |
| Bromide SCHEMBL5563404 | 0.61 | GAA (0.35) | ALDH1A1CYP2D6GAATSHRCYP19A1 | |
| SCHEMBL11335498 | 0.61 | MGLL (0.38) | ALDH1A1CYP3A4LMNAKMT2AOPRD1 | |
| SCHEMBL23798600 | 0.61 | TDP1 (0.40) | ALDH1A1CYP3A4LMNAKMT2ACYP2C9 | |
| SCHEMBL13019256 | 0.61 | ESR1 (0.42) | ALDH1A1CYP3A4LMNAKMT2AHSD17B10 | |
| SCHEMBL4427312 | 0.61 | ALDH1A1 (0.43) | ALDH1A1LMNAKMT2AHSD17B10GAA | |
| SCHEMBL11335494 | 0.61 | CYP19A1 (0.40) | ALDH1A1LMNAKMT2AOPRD1CYP2D6 | |
| SCHEMBL4213669 | 0.61 | ALDH1A1 (0.55) | ALDH1A1CYP3A4LMNAKMT2ACYP2D6 |
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-101282953-A | Therapeutic agents | ASTRAZENECA AB (SE) | 2008-10-08 | — | — | CN | disclosed |