Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.88 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.88 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.42 |
| ▸ | HTR3B | O95264 | 2/20 | 0.42 |
| ▸ | HTR3A | P46098 | 2/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.42 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGAV | P06756 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | PMM2 | O15305 | 1/20 | 0.35 |
| ▸ | MPI | P34949 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL58874 | 0.94 | MAPK1 (1.00) | MAPK1TDP1CYP3A4TRPA1HTR3E | |
| SCHEMBL29376406 | 0.94 | MAPK1 (1.00) | MAPK1TDP1CYP3A4TRPA1HTR3E | |
| Dimethylamine SCHEMBL11830270 | 0.86 | MAPK1 (0.85) | MAPK1TDP1CYP3A4TRPA1HTR3E | |
| SCHEMBL8942897 | 0.82 | TDP1 (0.76) | MAPK1TDP1CYP3A4TRPA1HTR3E | |
| SCHEMBL8594415 | 0.82 | TDP1 (0.76) | MAPK1TDP1CYP3A4TRPA1HTR3E | |
| O-Xylene SCHEMBL27865799 | 0.82 | MAPK1 (0.76) | MAPK1TDP1CYP3A4TRPA1HTR3E | |
| SCHEMBL29709073 | 0.82 | TDP1 (0.70) | MAPK1TDP1CYP3A4TRPA1HTR3E | |
| SCHEMBL462305 | 0.82 | TDP1 (0.70) | MAPK1TDP1CYP3A4TRPA1HTR3E | |
| SCHEMBL26675676 | 0.81 | MAPK1 (0.63) | MAPK1TDP1CYP3A4HTR3EHTR3B | |
| SCHEMBL31347853 | 0.81 | MAPK1 (0.63) | MAPK1TDP1CYP3A4HTR3EHTR3B |
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-2001007431-A2 | BENZOTHIOPHENE DERIVATIVES | ELI LILLY AND COMPANY (US) | 2001-02-01 | — | — | WO | disclosed |