Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | USP5 | P45974 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10396707 | 0.93 | ABCB11 (0.47) | FFAR1ABCB11TRPA1HTTTYR | |
| SCHEMBL9694221 | 0.93 | ABCB11 (0.47) | FFAR1ABCB11TRPA1GRIA4ESR1 | |
| SCHEMBL10396706 | 0.93 | ABCB11 (0.47) | FFAR1ABCB11TRPA1HTTTYR | |
| SCHEMBL2641075 | 0.85 | ABCB11 (0.52) | FFAR1ABCB11TRPA1ESR1ESR2 | |
| SCHEMBL7409014 | 0.84 | TRPA1 (0.53) | FFAR1TRPA1GRIA4 | |
| SCHEMBL20377395 | 0.83 | ABCB11 (0.44) | ABCB11TRPA1GRIA4ESR1ESR2 | |
| Hydrogen Peroxide SCHEMBL9176615 | 0.80 | KIF11 (0.54) | FFAR1KIF11PTPN5HTTTYR | |
| Hydrogen Peroxide SCHEMBL9643171 | 0.80 | KIF11 (0.54) | FFAR1KIF11PTPN5HTTTYR | |
| SCHEMBL197335 | 0.80 | KIF11 (0.52) | FFAR1KIF11PTPN5HTTTYR | |
| SCHEMBL9694465 | 0.79 | ABCB11 (0.42) | ABCB11TRPA1GRIA4ESR1ESR2 |
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-5091592-A | Oxidizing 4,4*-diisopropylbiphenyl with molecular oxygen in presence of ammonia or ammonium salt, decomposing using acid catalyst | MITSUBISHI PETROCHEMICAL CO., LTD. (JP) | 1992-02-25 | — | — | US | disclosed |