Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | ABL1 | P00519 | 4/20 | 0.39 |
| ▸ | BCR | P11274 | 4/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.39 |
| ▸ | TTR | P02766 | 2/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.39 |
| ▸ | NQO2 | P16083 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29133885 | 1.00 | CA2 (0.47) | CA2PTGS2CYP1B1CYP1A1CA12 | |
| SCHEMBL29133831 | 0.84 | CA2 (0.56) | CA2PTGS2CA12CA1CA9 | |
| SCHEMBL29133834 | 0.84 | CA2 (0.56) | CA2PTGS2CA12CA1CA9 | |
| SCHEMBL29133830 | 0.82 | PTGS2 (0.49) | PTGS2CYP1B1CYP1A1KDM4EMEN1 | |
| SCHEMBL29133828 | 0.82 | PTGS2 (0.49) | PTGS2CYP1B1CYP1A1KDM4EMEN1 | |
| SCHEMBL5383595 | 0.78 | CYP1B1 (0.47) | PTGS2CYP1B1CYP1A1ABL1BCR | |
| SCHEMBL5383597 | 0.78 | CYP1B1 (0.47) | PTGS2CYP1B1CYP1A1ABL1BCR | |
| SCHEMBL29133865 | 0.78 | PTGS2 (0.51) | CA2PTGS2CYP1A1CA12CA9 | |
| SCHEMBL29133869 | 0.78 | PTGS2 (0.51) | CA2PTGS2CYP1A1CA12CA9 | |
| SCHEMBL29133838 | 0.76 | SHBG (0.61) | CA2PTGS2CA12CA1CA9 |
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-116982622-A | Taurine derivative plant growth regulator and application thereof | 河南沐天农业科技有限公司 | 2023-11-03 | — | — | CN | claimed |