Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA7 | P43166 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | STS | P08842 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.44 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL982169 | 0.80 | CA12 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27829691 | 0.77 | CA1 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6776705 | 0.77 | CA1 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31664440 | 0.77 | CA12 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3014480 | 0.77 | CA1 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5269205 | 0.75 | CA1 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL15864834 | 0.75 | CA12 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8431078 | 0.75 | CA12 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL87450 | 0.74 | CA1 (0.83) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6263712 | 0.74 | CA12 (0.51) | CA12CA1CA2CA7CA9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106892879-A | A kind of synthetic method of gout suppressant Febustat | 青岛黄海制药有限责任公司 | 2017-06-27 | — | — | CN | claimed |
| CN-106892879-A | A kind of synthetic method of gout suppressant Febustat | 青岛黄海制药有限责任公司 | 2017-06-27 | — | — | CN | disclosed |