Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 3/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CPB1 | P15086 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | TACR1 | P25103 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28857439 | 1.00 | KDM1A (0.50) | KDM1AMAOBALDH1A1GAACPB1 | |
| SCHEMBL5745326 | 0.85 | ALDH1A1 (0.52) | ALDH1A1GAACPB1TSHR | |
| SCHEMBL2699266 | 0.85 | CPB1 (0.57) | ALDH1A1GAACPB1TSHR | |
| SCHEMBL16683509 | 0.85 | ALDH1A1 (0.52) | ALDH1A1GAACPB1TSHR | |
| SCHEMBL10271642 | 0.84 | CPB1 (0.53) | ALDH1A1GAACPB1TSHR | |
| SCHEMBL16683530 | 0.84 | SSTR4 (0.55) | ALDH1A1GAACPB1TSHR | |
| SCHEMBL3334311 | 0.84 | ALDH1A1 (0.51) | ALDH1A1GAACPB1TSHR | |
| SCHEMBL3250018 | 0.84 | ALDH1A1 (0.51) | ALDH1A1GAACPB1TSHR | |
| SCHEMBL16683531 | 0.84 | ALDH1A1 (0.54) | KDM1AMAOBALDH1A1GAACPB1 | |
| Hydrochloric Acid SCHEMBL6582419 | 0.84 | ALDH1A1 (0.51) | ALDH1A1GAACPB1TSHR |
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-107848971-A | Heterocyclic compound | 武田药品工业株式会社 | 2018-03-27 | — | — | CN | disclosed |