Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 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 | 0.91 | TSHR (0.44) | TSHRMAPK1HIF1ACYP3A4TDP1 | |
| SCHEMBL7096749 | 0.85 | TSHR (0.53) | TSHRMAPK1HIF1ACYP3A4TDP1 | |
| SCHEMBL7928485 | 0.80 | TSHR (0.44) | TSHRMAPK1CYP3A4TDP1CYP19A1 | |
| SCHEMBL196830 | 0.79 | TSHR (0.57) | TSHRMAPK1HIF1ACYP3A4TDP1 | |
| SCHEMBL1538847 | 0.78 | TSHR (0.47) | TSHRMAPK1CYP3A4TDP1 | |
| SCHEMBL9816151 | 0.78 | TSHR (0.67) | TSHRMAPK1HIF1ACYP3A4TDP1 | |
| SCHEMBL545084 | 0.78 | TSHR (0.67) | TSHRMAPK1HIF1ACYP3A4TDP1 | |
| SCHEMBL11778847 | 0.74 | CYP19A1 (0.49) | TSHRMAPK1HIF1ACYP3A4TDP1 | |
| SCHEMBL10974821 | 0.70 | TSHR (0.38) | TSHR | |
| SCHEMBL10974819 | 0.70 | TSHR (0.33) | TSHRMAPK1HIF1ATDP1LMNA |
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 |