Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | THRB | P10828 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TGM2 | P21980 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | JUN | P05412 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL27850566 | 0.84 | CA12 (0.55) | ALDH1A1THRBMEN1KMT2AMAPT | |
| SCHEMBL6767178 | 0.83 | ERN1 (0.47) | ALDH1A1THRBMEN1KMT2AMAPT | |
| SCHEMBL4269240 | 0.81 | ALDH1A1 (0.44) | ALDH1A1THRBMEN1KMT2AMAPT | |
| SCHEMBL30406222 | 0.81 | ALDH1A1 (0.53) | ALDH1A1THRBMEN1KMT2AMAPT | |
| SCHEMBL22381406 | 0.81 | THRB (0.45) | ALDH1A1THRBMAPTTGM2ABCG2 | |
| SCHEMBL6173663 | 0.80 | BACE1 (0.56) | ALDH1A1MEN1KMT2AMAPTPOLB | |
| SCHEMBL27616513 | 0.80 | PTGS1 (0.50) | ALDH1A1MEN1KMT2AMAPTKDM4E | |
| SCHEMBL18869352 | 0.80 | KDM4E (0.55) | ALDH1A1THRBMEN1KMT2AMAPT | |
| SCHEMBL28783574 | 0.78 | TSHR (0.43) | ALDH1A1ABCG2NFKB1 | |
| SCHEMBL10499949 | 0.78 | KMT2A (0.44) | ALDH1A1THRBMEN1KMT2AMAPT |
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-117355521-A | Heteroaryl inhibitors of plasma kallikrein | 武田药品工业株式会社 | 2024-01-05 | — | — | CN | disclosed |