Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STING1 | Q86WV6 | 8/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22200410 | 0.90 | STING1 (0.53) | STING1ALDH1A1LMNAHTTSMN1; SMN2 | |
| SCHEMBL22200412 | 0.89 | STING1 (0.64) | STING1SMN1; SMN2 | |
| SCHEMBL24175668 | 0.88 | STING1 (0.41) | STING1ACHECYP3A4CYP2C19CYP2C9 | |
| SCHEMBL22200404 | 0.83 | STING1 (0.48) | STING1ALDH1A1LMNA | |
| SCHEMBL24175052 | 0.82 | STING1 (0.49) | STING1CYP3A4CYP2C19CYP2C9CSNK1D | |
| SCHEMBL24175605 | 0.82 | STING1 (0.49) | STING1CYP3A4CYP2C19CYP2C9CSNK1D | |
| SCHEMBL24175053 | 0.81 | STING1 (0.49) | STING1CYP3A4CYP2C19CYP2C9HTT | |
| SCHEMBL24175795 | 0.81 | STING1 (0.53) | STING1CYP3A4CYP2C19CYP2C9CSNK1D | |
| SCHEMBL24175566 | 0.81 | STING1 (0.48) | STING1CYP3A4CYP2C19CYP2C9CSNK1D | |
| SCHEMBL24175103 | 0.81 | STING1 (0.53) | STING1CYP3A4CYP2C19CYP2C9CSNK1D |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022002077-A1 | ARYL AROMATIC HETEROCYCLIC DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海海和药物研究开发股份有限公司 | 2022-01-06 | — | — | WO | disclosed |
| EP-3907221-A1 | FLUORINE-CONTAINING SUBSTITUTED BENZOTHIOPHENE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2021-11-10 | — | — | EP | disclosed |
| WO-2020140894-A1 | FLUORINE-CONTAINING SUBSTITUTED BENZOTHIOPHENE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 中国科学院上海药物研究所 | 2020-07-09 | — | — | WO | disclosed |