Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.50 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.47 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.47 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.47 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.47 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL98312 | 0.95 | TSHR (0.60) | ALDH1A1SMN1; SMN2TSHRTP53SRD5A2 | |
| SCHEMBL9177111 | 0.93 | TSHR (0.57) | ALDH1A1SMN1; SMN2TSHRTP53SRD5A2 | |
| Methyl Alcohol SCHEMBL27778102 | 0.93 | TSHR (0.57) | ALDH1A1SMN1; SMN2TSHRTP53SRD5A2 | |
| Hydrochloric Acid SCHEMBL7347939 | 0.93 | TSHR (0.57) | ALDH1A1SMN1; SMN2TSHRTP53SRD5A2 | |
| Ethylene Glycol SCHEMBL7042192 | 0.87 | TP53 (0.50) | ALDH1A1SMN1; SMN2TSHRTP53SRD5A2 | |
| Oxirane SCHEMBL27918303 | 0.85 | TP53 (0.48) | ALDH1A1SMN1; SMN2TSHRTP53SRD5A2 | |
| Trifluoroacetic Acid SCHEMBL21177989 | 0.84 | EPHX2 (0.46) | ALDH1A1SMN1; SMN2TSHRTP53SRD5A2 | |
| Acedoben SCHEMBL8346780 | 0.84 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2TSHRTP53EPHX2 | |
| SCHEMBL11747257 | 0.82 | HCAR3 (0.49) | ALDH1A1SMN1; SMN2TSHRTP53CSNK2A2 | |
| Tetrylammonium SCHEMBL11746115 | 0.82 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2TSHRTP53SRD5A2 |
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-107406469-B | For extracting C from aqueous streams1To C4Quaternary arylcarboxylate salt compositions of carboxylic acids | 伊士曼化工公司 | 2021-04-30 | — | — | CN | disclosed |