Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 7/20 | 0.65 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.65 |
| ▸ | CA1 | P00915 | 1/20 | 0.65 |
| ▸ | CA2 | P00918 | 1/20 | 0.65 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.65 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.65 |
| ▸ | ITGAL | P20701 | 1/20 | 0.65 |
| ▸ | CA4 | P22748 | 1/20 | 0.65 |
| ▸ | CA6 | P23280 | 1/20 | 0.65 |
| ▸ | ADK | P55263 | 1/20 | 0.65 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Indole SCHEMBL28241238 | 0.86 | AHR (0.74) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL27922533 | 0.86 | AHR (0.81) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL28833833 | 0.85 | CA1 (0.65) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL6254730 | 0.85 | AHR (0.65) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL3138428 | 0.85 | AHR (0.65) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL399069 | 0.82 | AHR (0.74) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL2059954 | 0.82 | AHR (0.74) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL28385617 | 0.82 | AHR (0.74) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL28306370 | 0.82 | AHR (0.74) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL5317626 | 0.81 | AHR (0.61) | AHRTRPA1CA1CA2ITGB2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023001045-A9 | EXTERNAL ANTI-INFLAMMATORY COUPLING COMPOUND DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海椿安生物医药科技有限公司 | 2023-10-26 | — | — | WO | disclosed |