Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STING1 | Q86WV6 | 15/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.41 |
| ▸ | WNT3A | P56704 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22200418 | 0.92 | STING1 (0.50) | STING1ACHECTNNB1RAB9A | |
| SCHEMBL22200425 | 0.85 | STING1 (0.57) | STING1CTNNB1WNT3AALDH1A1 | |
| SCHEMBL2889669 | 0.82 | NPC1 (0.46) | MEN1KMT2AALDH1A1RAB9A | |
| SCHEMBL21452553 | 0.79 | STING1 (0.56) | STING1ACHE | |
| SCHEMBL21405886 | 0.78 | STING1 (0.79) | STING1ACHE | |
| SCHEMBL22200426 | 0.78 | MEN1 (0.40) | MEN1KMT2AALDH1A1RAB9A | |
| SCHEMBL13662664 | 0.77 | CLK1 (0.50) | MEN1KMT2AALDH1A1RAB9A | |
| SCHEMBL22200398 | 0.77 | STING1 (0.57) | STING1MEN1KMT2ACTNNB1ALDH1A1 | |
| SCHEMBL23480236 | 0.77 | STING1 (0.67) | STING1 | |
| SCHEMBL9612629 | 0.76 | NPC1 (0.38) | STING1KMT2AALDH1A1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| 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 |