Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 4/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | STAT3 | P40763 | 1/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.37 |
| ▸ | MMP13 | P45452 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PTPRB | P23467 | 1/20 | 0.36 |
| ▸ | NR1D1 | P20393 | 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 | |
|---|---|---|---|---|
| SCHEMBL30096762 | 0.94 | ALDH1A1 (0.41) | ALDH1A1TSHRCA2CA1CA4 | |
| SCHEMBL30096737 | 0.94 | ALDH1A1 (0.41) | ALDH1A1TSHRCA2CA1CA4 | |
| SCHEMBL29255314 | 0.91 | ALDH1A1 (0.44) | ALDH1A1TSHRCA2CA1CA4 | |
| SCHEMBL30271540 | 0.89 | ALDH1A1 (0.41) | ALDH1A1TSHRCA2CA1CA4 | |
| SCHEMBL12944323 | 0.89 | ALDH1A1 (0.43) | ALDH1A1TSHRCA2CA1CA4 | |
| SCHEMBL8193095 | 0.88 | ALDH1A1 (0.43) | ALDH1A1TSHRCA2CA1CA4 | |
| SCHEMBL1764913 | 0.87 | ALDH1A1 (0.42) | ALDH1A1TSHRCA2CA1CA4 | |
| SCHEMBL1764915 | 0.87 | ALDH1A1 (0.42) | ALDH1A1TSHRCA2CA1CA4 | |
| SCHEMBL15627953 | 0.86 | AAK1 (0.52) | ALDH1A1TSHRCA2CA1CA4 | |
| SCHEMBL10506905 | 0.86 | SYK (0.45) | ALDH1A1TSHRCA2CA1CA4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118307534-A | LTA4H inhibitors and uses thereof | 上海海雁医药科技有限公司 | 2024-07-09 | — | — | CN | disclosed |