Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | GALR3 | O60755 | 1/20 | 0.33 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5800483 | 0.82 | CYP3A4 (0.50) | TDP1MAPK1CYP3A4TSHRTRPA1 | |
| SCHEMBL1021195 | 0.81 | MAPK1 (0.66) | TDP1MAPK1CYP3A4TSHRTRPA1 | |
| SCHEMBL693021 | 0.79 | CYP3A4 (0.46) | TDP1MAPK1CYP3A4TSHRTRPA1 | |
| SCHEMBL11036439 | 0.78 | CYP3A4 (0.39) | TDP1MAPK1CYP3A4TSHRTRPA1 | |
| SCHEMBL27280280 | 0.78 | MAPK1 (0.61) | TDP1MAPK1CYP3A4TSHRTRPA1 | |
| SCHEMBL11550363 | 0.78 | MAPK1 (0.61) | TDP1MAPK1CYP3A4TSHRTRPA1 | |
| SCHEMBL10999891 | 0.78 | MAPK1 (0.61) | TDP1MAPK1CYP3A4TSHRTRPA1 | |
| SCHEMBL10962876 | 0.77 | CYP3A4 (0.54) | TDP1MAPK1CYP3A4TSHRTRPA1 | |
| SCHEMBL9404582 | 0.75 | GABRA1 (0.42) | TDP1MAPK1CYP3A4TSHRTRPA1 | |
| SCHEMBL10763639 | 0.74 | MAPK1 (0.56) | TDP1MAPK1CYP3A4TSHRTRPA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6255542-B1 | RING CHLORINATING 4-NITROALKYLBENZENE WITH CHLORINE OR CHLORING-RELEASING AGENT IN A LIQUID PHASE AND IN THE PRESENCE OF A FRIEDEL-CRAFTS CATALYST AND A DIARYL SULFIDE CO-CATALYST | BAYER AKTIENGESELLSCHAFT (DE) | 2001-07-03 | — | — | US | disclosed |
| EP-1078914-A1 | Process for the preparation of 2-chloro-4-nitroalkylbenzene | BAYER AG (DE) | 2001-02-28 | — | — | EP | disclosed |