Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 4/20 | 0.37 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | PPARD | Q03181 | 2/20 | 0.37 |
| ▸ | PPARA | Q07869 | 2/20 | 0.37 |
| ▸ | CNR1 | P21554 | 2/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 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 | |
|---|---|---|---|---|
| SCHEMBL1275889 | 0.80 | CYP2D6 (0.65) | CYP2D6CYP2C19EPHX1MAPTMMP1 | |
| SCHEMBL12056422 | 0.78 | EPHX1 (0.47) | CYP2D6CYP2C19EPHX1MAPTMMP1 | |
| SCHEMBL606665 | 0.76 | — | — | |
| SCHEMBL5300432 | 0.76 | — | — | |
| SCHEMBL372689 | 0.74 | — | — | |
| SCHEMBL20970337 | 0.73 | — | — | |
| SCHEMBL10641434 | 0.73 | — | — | |
| SCHEMBL606666 | 0.73 | — | — | |
| SCHEMBL29770830 | 0.73 | TSHR (0.52) | CYP2D6CYP2C19MAPTMMP1MMP8 | |
| SCHEMBL7744606 | 0.73 | TSHR (0.52) | CYP2D6CYP2C19MAPTMMP1MMP8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3542779-A1 | DENTAL COMPOSITION | Dentsply DeTrey GmbH (DE) | 2019-09-25 | — | — | EP | disclosed |