Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | PGK1 | P00558 | 1/20 | 0.32 |
| ▸ | PGK2 | P07205 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL7170910 | 0.83 | TSHR (0.40) | CA2PGK1PGK2KMT2ACYP3A4 | |
| SCHEMBL7182952 | 0.79 | TSHR (0.40) | CA1CA2KMT2ACA12 | |
| SCHEMBL9688354 | 0.76 | CYP3A4 (0.52) | CA1CA2CA9CYP3A4CASP1 | |
| SCHEMBL30471399 | 0.76 | CYP3A4 (0.52) | CA1CA2CA9CYP3A4CASP1 | |
| SCHEMBL4323677 | 0.75 | CYP3A4 (0.39) | CA1CA2CA9KMT2ACYP3A4 | |
| SCHEMBL15322246 | 0.74 | CYP3A4 (0.42) | CA1CA2CA9PKMKMT2A | |
| SCHEMBL1536240 | 0.74 | MAOA (0.52) | CA1CA2CA9KMT2ACYP3A4 | |
| SCHEMBL21636282 | 0.74 | MAOA (0.52) | CA1CA2CA9KMT2ACYP3A4 | |
| SCHEMBL29881584 | 0.74 | MAOA (0.52) | CA1CA2CA9KMT2ACYP3A4 | |
| SCHEMBL7190141 | 0.73 | TSHR (0.34) | KMT2ACYP3A4 |
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-6531633-B2 | Grignard reaction of bromobenzene substituted with fluoroalkyl group and diphenylphosphinic chloride in an organic solvent and magnesium, followed by nitration in sulfuric and nitric acids and hydrogenation in presence of palladium | KWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2003-03-11 | — | — | US | disclosed |