Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.76 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.76 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.38 |
| ▸ | HTR3B | O95264 | 2/20 | 0.38 |
| ▸ | HTR3A | P46098 | 2/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.34 |
| ▸ | ITGAV | P06756 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29376406 | 0.87 | MAPK1 (1.00) | TDP1MAPK1CYP3A4TRPA1HTR3E | |
| SCHEMBL58874 | 0.87 | MAPK1 (1.00) | TDP1MAPK1CYP3A4TRPA1HTR3E | |
| SCHEMBL326586 | 0.83 | GABRA1 (0.56) | TDP1MAPK1GABRA1GABRB2CYP3A4 | |
| SCHEMBL8594415 | 0.83 | TDP1 (0.76) | TDP1MAPK1CYP3A4TRPA1HTR3E | |
| SCHEMBL7981297 | 0.82 | MAPK1 (0.88) | TDP1MAPK1CYP3A4TRPA1HTR3E | |
| Dimethylamine SCHEMBL11830270 | 0.80 | MAPK1 (0.85) | TDP1MAPK1GABRA1GABRB2CYP3A4 | |
| O-Xylene SCHEMBL27865799 | 0.79 | MAPK1 (0.76) | TDP1MAPK1GABRA1GABRB2CYP3A4 | |
| Toluene SCHEMBL27882172 | 0.78 | MAPK1 (0.73) | TDP1MAPK1GABRA1GABRB2CYP3A4 | |
| SCHEMBL5206535 | 0.77 | MAPK1 (0.59) | TDP1MAPK1GABRA1GABRB2CYP3A4 | |
| SCHEMBL8103653 | 0.76 | TDP1 (0.65) | TDP1MAPK1CYP3A4TRPA1HTR3E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0710257-A1 | IMIDO TRANSITION METAL COMPLEX METATHESIS CATALYSTS | SHELL OIL CO (US) | 1996-05-08 | — | — | EP | disclosed |
| WO-1995003346-A1 | IMIDO TRANSITION METAL COMPLEX METATHESIS CATALYSTS | SHELL OIL COMPANY (US) | 1995-02-02 | — | — | WO | disclosed |