Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | CA3 | P07451 | 2/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| 1,3,5-Trichlorobenzene SCHEMBL27328470 | 0.88 | CA12 (0.65) | CYP3A4CA14CA12CA1CA2 | |
| Phenol SCHEMBL9623399 | 0.83 | CA12 (0.58) | CYP3A4CA14CA12CA1CA2 | |
| 3-Chloroaniline SCHEMBL28079347 | 0.83 | ALDH1A1 (0.71) | CYP3A4CA14CA12CA1CA2 | |
| 4-Chloroaniline SCHEMBL27559135 | 0.79 | ALDH1A1 (0.55) | CYP3A4CA14CA12CA1CA2 | |
| Phenol SCHEMBL28066784 | 0.78 | TSHR (0.71) | CYP3A4CA14CA12CA1CA2 | |
| Phenol SCHEMBL27749959 | 0.77 | CA12 (0.50) | CYP3A4CA14CA12CA1CA2 | |
| Toluene SCHEMBL28109764 | 0.77 | CYP3A4 (0.59) | CYP3A4TP53TDP1ALDH1A1TSHR | |
| SCHEMBL127074 | 0.77 | — | — | |
| Phenol SCHEMBL28085212 | 0.76 | TSHR (0.68) | CYP3A4CA14CA12CA1CA2 | |
| SCHEMBL31167911 | 0.75 | — | — |
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-108059602-A | A kind of preparation method of oxyclozanide intermediate 2-amino -4,6- chlorophenesic acid organic solution | 常州齐晖药业有限公司 | 2018-05-22 | — | — | CN | disclosed |