Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA3 | P07451 | 2/20 | 0.48 |
| ▸ | CA4 | P22748 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | PKM | P14618 | 3/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28469520 | 0.81 | NPSR1 (0.45) | NPSR1CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| Bromobenzene SCHEMBL28462787 | 0.81 | NPSR1 (0.48) | NPSR1TDP1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL43130 | 0.78 | — | — | |
| SCHEMBL11539880 | 0.78 | NPSR1 (0.46) | NPSR1CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| Phenol SCHEMBL6693969 | 0.75 | CA12 (0.73) | CA12CA1CA2CA3CA4 | |
| Phenol SCHEMBL1008441 | 0.74 | CA1 (0.61) | CA12CA1CA2CA3CA4 | |
| Fumaric Acid SCHEMBL10892029 | 0.74 | CA1 (0.61) | CA12CA1CA2CA3CA4 | |
| Maleic Acid SCHEMBL21816858 | 0.74 | CA1 (0.61) | CA12CA1CA2CA3CA4 | |
| Fumaric Acid SCHEMBL523843 | 0.74 | CA1 (0.61) | CA12CA1CA2CA3CA4 | |
| Fumaric Acid SCHEMBL29007622 | 0.74 | CA1 (0.61) | CA12CA1CA2CA3CA4 |
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-108285434-B | Preparation method and application of 5-aryl-1, 2, 4-triazazine-3, 6-diformate | 天津大学 | 2021-03-23 | — | — | CN | disclosed |