Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | TTR | P02766 | 1/20 | 0.46 |
| ▸ | DPP4 | P27487 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | HSD17B1 | P14061 | 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 | |
|---|---|---|---|---|
| SCHEMBL28567920 | 1.00 | PTGS2 (0.50) | PTGS2CA12CA1CA2CA7 | |
| SCHEMBL20065147 | 0.88 | CA12 (0.49) | PTGS2CA12CA1CA2CA7 | |
| SCHEMBL31408756 | 0.88 | RAB9A (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1268400 | 0.88 | RAB9A (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1268397 | 0.88 | RAB9A (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31065933 | 0.87 | CA12 (0.48) | PTGS2CA12CA1CA2CA7 | |
| SCHEMBL28993127 | 0.86 | CA12 (0.50) | PTGS2CA12CA1CA2CA7 | |
| SCHEMBL30671373 | 0.85 | CA12 (0.47) | PTGS2CA12CA1CA2CA7 | |
| SCHEMBL18198103 | 0.85 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL18191212 | 0.85 | CA12 (0.47) | 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-108864375-B | Preparation method of water-retention and mud-resistance type polycarboxylate superplasticizer | 科之杰新材料集团有限公司 | 2021-05-25 | — | — | CN | disclosed |
| CN-108864374-B | Preparation method of ether high-water-retention polycarboxylate superplasticizer | 科之杰新材料集团有限公司 | 2021-05-25 | — | — | CN | disclosed |