Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 10/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HSPB1 | P04792 | 3/20 | 0.42 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | AGXT | P21549 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10456772 | 0.79 | TRPA1 (0.56) | TRPA1ALDH1A1HSPB1EPAS1 | |
| SCHEMBL1547178 | 0.75 | CES2 (0.43) | TRPA1ALDH1A1HSPB1IDO1AGXT | |
| SCHEMBL29366053 | 0.75 | LMNA (0.53) | TRPA1ALDH1A1 | |
| SCHEMBL22060037 | 0.75 | ALDH1A1 (0.42) | TRPA1ALDH1A1HSPB1IDO1AGXT | |
| SCHEMBL197204 | 0.75 | LMNA (0.53) | TRPA1ALDH1A1 | |
| SCHEMBL27593053 | 0.75 | ALDH1A1 (0.42) | TRPA1ALDH1A1HSPB1IDO1AGXT | |
| SCHEMBL16392368 | 0.75 | IDO1 (0.48) | TRPA1ALDH1A1HSPB1IDO1AGXT | |
| SCHEMBL1484426 | 0.75 | IDO1 (0.43) | TRPA1ALDH1A1HSPB1IDO1AGXT | |
| SCHEMBL9314281 | 0.75 | TRPA1 (0.45) | TRPA1ALDH1A1HSPB1 | |
| SCHEMBL438800 | 0.73 | ALDH1A1 (0.41) | TRPA1ALDH1A1HSPB1IDO1AGXT |
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-2018130174-A1 | PYRROLO[2,3-C]PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE | 江苏豪森药业集团有限公司 | 2018-07-19 | — | — | WO | disclosed |