Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HCN1 | O60741 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL6544243 | 0.91 | TSHR (0.44) | HTTCYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL28229700 | 0.85 | LMNA (0.49) | HTTCYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL4625144 | 0.80 | KMT2A (0.61) | NPSR1CYP3A4KMT2ATSHRMEN1 | |
| SCHEMBL6544633 | 0.78 | KMT2A (0.49) | NPSR1KMT2ATSHRMEN1NPC1 | |
| SCHEMBL5694381 | 0.77 | ALDH1A1 (0.44) | KMT2ATSHRMEN1ALDH1A1 | |
| SCHEMBL6544700 | 0.77 | GAA (0.54) | HTTNPSR1KMT2ATSHRMEN1 | |
| SCHEMBL27981018 | 0.76 | HTT (0.50) | HTTNPSR1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10717862 | 0.76 | GAA (0.43) | NPSR1KMT2ATSHRMEN1NPC1 | |
| SCHEMBL7027544 | 0.74 | ELANE (0.41) | HTTKMT2AMEN1P2RX7HCN1 | |
| SCHEMBL8335906 | 0.73 | ITGB1 (0.43) | HTTNPSR1CYP3A4CYP2C9CYP2C19 |
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-112390919-B | Water-retaining polycarboxylate superplasticizer and preparation method thereof | 陕西科之杰新材料有限公司 | 2021-10-08 | — | — | CN | disclosed |
| CN-112390919-A | Water-retaining polycarboxylate superplasticizer and preparation method thereof | 陕西科之杰新材料有限公司 | 2021-02-23 | — | — | CN | disclosed |