Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.92 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.60 |
| ▸ | CA1 | P00915 | 3/20 | 0.57 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.47 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | LCK | P06239 | 1/20 | 0.45 |
| ▸ | PPARD | Q03181 | 1/20 | 0.45 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.45 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Zinc Ion SCHEMBL29544545 | 0.96 | CA2 (0.92) | CA2NFKB1CYP3A4TSHRNPSR1 | |
| Potassium Ion SCHEMBL18317043 | 0.96 | CA2 (0.92) | CA2NFKB1CYP3A4TSHRNPSR1 | |
| Potassium Ion SCHEMBL31730243 | 0.96 | CA2 (0.92) | CA2NFKB1CYP3A4TSHRNPSR1 | |
| SCHEMBL6283705 | 0.96 | CA2 (0.92) | CA2NFKB1CYP3A4TSHRNPSR1 | |
| SCHEMBL4925037 | 0.96 | CA2 (0.92) | CA2NFKB1CYP3A4TSHRNPSR1 | |
| SCHEMBL31462035 | 0.96 | CA2 (0.92) | CA2NFKB1CYP3A4TSHRNPSR1 | |
| SCHEMBL688744 | 0.96 | CA2 (1.00) | CA2NFKB1CYP3A4TSHRNPSR1 | |
| SCHEMBL6283709 | 0.96 | CA2 (0.92) | CA2NFKB1CYP3A4TSHRNPSR1 | |
| SCHEMBL11297019 | 0.96 | CA2 (0.92) | CA2NFKB1CYP3A4TSHRNPSR1 | |
| SCHEMBL8569586 | 0.96 | CA2 (0.92) | CA2NFKB1CYP3A4TSHRNPSR1 |
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-106349451-B | Process for preparing hydrophobically modified alkylene oxide urethane polymers | 罗门哈斯公司 | 2020-11-13 | — | — | CN | disclosed |