Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | PTGDR2 | Q9Y5Y4 | 14/20 | 0.43 |
| ▸ | RORC | P51449 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17182268 | 1.00 | ALDH1A1 (0.43) | ALDH1A1MAPTPTGDR2RORCTHRB | |
| SCHEMBL15777905 | 1.00 | ALDH1A1 (0.43) | ALDH1A1MAPTPTGDR2RORCTHRB | |
| SCHEMBL17304374 | 1.00 | ALDH1A1 (0.43) | ALDH1A1MAPTPTGDR2RORCTHRB | |
| SCHEMBL20614223 | 0.90 | ALDH1A1 (0.44) | ALDH1A1MAPTPTGDR2RORCTHRB | |
| SCHEMBL18695760 | 0.89 | PTGDR2 (0.37) | ALDH1A1MAPTPTGDR2RORCMEN1 | |
| SCHEMBL17304382 | 0.89 | PTGDR2 (0.37) | ALDH1A1MAPTPTGDR2RORCMEN1 | |
| SCHEMBL18787527 | 0.89 | ALDH1A1 (0.43) | ALDH1A1MAPTPTGDR2RORCTHRB | |
| SCHEMBL17182378 | 0.89 | ALDH1A1 (0.47) | ALDH1A1MAPTPTGDR2RORCTHRB | |
| SCHEMBL17298143 | 0.89 | ALDH1A1 (0.43) | ALDH1A1MAPTPTGDR2RORCTHRB | |
| SCHEMBL15777777 | 0.89 | ALDH1A1 (0.47) | ALDH1A1MAPTPTGDR2RORCTHRB |
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 |
|---|---|---|---|---|---|---|---|
| CN-112759588-B | Benzo five-membered heterocyclic amine derivative and application thereof | 复旦大学 | 2023-01-31 | — | — | CN | disclosed |
| CN-109476653-B | Heteroaromatic modulators of retinoid-related orphan receptor gamma | 利奥制药有限公司 | 2022-04-22 | — | — | CN | disclosed |