Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.48 |
| ▸ | F3 | P13726 | 1/20 | 0.48 |
| ▸ | TYR | P14679 | 1/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.48 |
| ▸ | MGAM | O43451 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL20152901 | 0.87 | MAPT (0.50) | CYP2C9MAPTALDH1A1CYP1A2KDM4E | |
| SCHEMBL10021706 | 0.85 | CAPN1 (0.50) | CYP2C9MAPTALDH1A1CYP1A2MEN1 | |
| SCHEMBL11701529 | 0.82 | MEN1 (0.55) | CYP2C9MAPTALDH1A1CYP1A2KDM4E | |
| SCHEMBL11701522 | 0.82 | MEN1 (0.55) | CYP2C9MAPTALDH1A1CYP1A2KDM4E | |
| SCHEMBL24557604 | 0.79 | MAPT (0.40) | CYP2C9MAPTALDH1A1CYP1A2KDM4E | |
| SCHEMBL14303264 | 0.78 | ALOX5 (0.43) | CYP2C9MAPTALDH1A1CYP1A2KDM4E | |
| SCHEMBL20244894 | 0.78 | MAPT (0.40) | CYP2C9MAPTALDH1A1CYP1A2KDM4E | |
| SCHEMBL20152955 | 0.77 | BACE1 (0.54) | CYP2C9MAPTALDH1A1CYP1A2KDM4E | |
| SCHEMBL20152932 | 0.77 | MIF (0.56) | CYP2C9MAPTALDH1A1CYP1A2KDM4E | |
| SCHEMBL20152991 | 0.77 | BACE1 (0.77) | CYP2C9MAPTALDH1A1CYP1A2KDM4E |
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-2018086197-A1 | CATALYTIC ASYMMETRIC SYNTHESIS METHOD FOR CHIRAL SPINOL DERIVATE | 南方科技大学 | 2018-05-17 | — | — | WO | disclosed |