Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NPY1R | P25929 | 1/20 | 0.35 |
| ▸ | NPY2R | P49146 | 1/20 | 0.35 |
| ▸ | RAD52 | P43351 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | PLK1 | P53350 | 2/20 | 0.32 |
| ▸ | SCN1A | P35498 | 1/20 | 0.32 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.32 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8081896 | 0.75 | CYP1A2 (0.41) | CYP2D6CYP1A2TSHRNPY1RNPY2R | |
| SCHEMBL8088062 | 0.75 | CYP1A2 (0.41) | CYP2D6CYP1A2TSHRNPY1RNPY2R | |
| SCHEMBL8081964 | 0.75 | CYP1A2 (0.41) | CYP2D6CYP1A2TSHRNPY1RNPY2R | |
| SCHEMBL8074388 | 0.74 | CYP2D6 (0.41) | CYP2D6CYP1A2TSHRMAPTPTGS1 | |
| Hydrochloric Acid SCHEMBL8083177 | 0.74 | CYP1A2 (0.40) | CYP2D6CYP1A2TSHRNPY1RNPY2R | |
| Hydrochloric Acid SCHEMBL8083178 | 0.74 | CYP1A2 (0.40) | CYP2D6CYP1A2TSHRNPY1RNPY2R | |
| Hydrochloric Acid SCHEMBL8074458 | 0.73 | CYP2D6 (0.41) | CYP2D6CYP1A2TSHRMAPTPTGS1 | |
| SCHEMBL8082687 | 0.69 | CYP1A2 (0.43) | CYP2D6CYP1A2TSHRNPY1RNPY2R | |
| SCHEMBL11549030 | 0.69 | GLA (0.48) | CYP2D6CYP1A2TSHRMAPTPTGS1 | |
| SCHEMBL8074467 | 0.68 | CYP1A2 (0.36) | CYP2D6CYP1A2TSHRNPY1RNPY2R |
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 |
|---|---|---|---|---|---|---|---|
| US-6063810-A | ENANTIOMORPHS | SYNTHELABO (FR) | 2000-05-16 | — | — | US | disclosed |