Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CASR | P41180 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.30 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.30 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11239589 | 0.84 | CYP3A4 (0.46) | CYP3A4TSHRTDP1MAPK1CASR | |
| SCHEMBL11261677 | 0.83 | TSHR (0.43) | CYP3A4TSHRTDP1MAPK1CASR | |
| SCHEMBL11248026 | 0.83 | CYP19A1 (0.47) | CYP3A4TSHRMAPK1CYP19A1CYP3A5 | |
| SCHEMBL11249211 | 0.82 | CYP19A1 (0.40) | CYP3A4TSHRTDP1MAPK1CASR | |
| SCHEMBL11258277 | 0.78 | CYP19A1 (0.42) | CYP3A4TSHRTDP1MAPK1CASR | |
| SCHEMBL11571703 | 0.76 | TSHR (0.47) | CYP3A4TSHRTDP1MAPK1CASR | |
| SCHEMBL11247324 | 0.74 | CYP19A1 (0.35) | CYP3A4CYP19A1CYP3A5KCNN4HTR2A | |
| SCHEMBL11869739 | 0.72 | TSHR (0.65) | CYP3A4TSHRTDP1MAPK1CASR | |
| SCHEMBL17383651 | 0.68 | TSHR (0.48) | CYP3A4TSHRTDP1MAPK1CASR | |
| SCHEMBL11250352 | 0.68 | CYP19A1 (0.36) | CYP3A4TSHRCYP19A1ALDH1A1 |
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-4322442-A | INSECTICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1982-03-30 | — | — | US | disclosed |