Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.30 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
| ▸ | KIF11 | P52732 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL7930028 | 0.83 | TSHR (0.44) | TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL7928488 | 0.80 | TSHR (0.50) | TSHRCYP3A4MAPK1TDP1LMNA | |
| SCHEMBL7096749 | 0.77 | TSHR (0.53) | TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL30318973 | 0.77 | TSHR (0.50) | TSHRCYP3A4MAPK1TDP1KCNN4 | |
| SCHEMBL545083 | 0.77 | TSHR (0.50) | TSHRCYP3A4MAPK1TDP1KCNN4 | |
| Benzene SCHEMBL21048983 | 0.74 | TSHR (0.56) | TSHRCYP3A4MAPK1TDP1KCNN4 | |
| SCHEMBL10894279 | 0.71 | TSHR (0.44) | TSHRMAPK1KIF11 | |
| SCHEMBL1538847 | 0.71 | TSHR (0.47) | TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL29617470 | 0.69 | TSHR (0.53) | TSHRCYP3A4MAPK1TDP1KCNN4 | |
| SCHEMBL197704 | 0.69 | TSHR (0.53) | TSHRCYP3A4MAPK1TDP1KCNN4 |
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-6201152-B1 | HEATING MIXTURE OF METHYL-3,5-DICHLORO-4-METHYLBENZOATE AND ALPHA,ALPHA,ALPHA-TRICHLOROMETHYLBENZENE IN PRESENCE OF AMMONIUM MOLYBDATE CATALYST | OCCIDENTAL CHEMICAL CORPORATION | 2001-03-13 | — | — | US | disclosed |