Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SCN4A | P35499 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.35 |
| ▸ | CD44 | P16070 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | MYC | P01106 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL169686 | 0.88 | — | — | |
| SCHEMBL1315329 | 0.85 | CYP2A6 (0.47) | ACHETSHRCYP2A6CYP1A2ALDH1A1 | |
| O-Xylene SCHEMBL3640206 | 0.78 | TSHR (0.91) | ACHETSHRCYP2A6CYP1A2ALDH1A1 | |
| O-Xylene SCHEMBL17318270 | 0.78 | TSHR (0.91) | ACHETSHRCYP2A6CYP1A2ALDH1A1 | |
| O-Xylene SCHEMBL1077768 | 0.78 | TSHR (0.91) | ACHETSHRCYP2A6CYP1A2ALDH1A1 | |
| Iodobenzene SCHEMBL3628957 | 0.78 | — | — | |
| Iodobenzene SCHEMBL10538620 | 0.78 | ALDH1A1 (0.43) | ACHETSHRCYP2A6ALDH1A1CA1 | |
| Iodobenzene SCHEMBL1331855 | 0.78 | — | — | |
| O-Xylene SCHEMBL11253661 | 0.78 | TSHR (0.91) | ACHETSHRCYP2A6CYP1A2ALDH1A1 | |
| Iodobenzene SCHEMBL1587 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105001042-A | Preparing method for benzenyl trifluoride class compound | UNIV ANHUI NORMAL | 2015-10-28 | — | — | CN | disclosed |