Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.61 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TYMS | P04818 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL534488 | 0.82 | GABRA1 (0.36) | GABRA1GABRB2ALDH1A1KMT2AALOX5 | |
| SCHEMBL62557 | 0.78 | GABRA1 (1.00) | GABRA1GABRB2MAPTL3MBTL1CYP2D6 | |
| SCHEMBL534456 | 0.76 | TAAR1 (0.50) | ALDH1A1MEN1KMT2AHPGDCYP1A2 | |
| SCHEMBL16670387 | 0.73 | ALOX5 (0.51) | GABRA1GABRB2ALDH1A1ALOX5PTGS2 | |
| SCHEMBL28321854 | 0.72 | GABRA1 (0.56) | GABRA1GABRB2MEN1KMT2AALOX5 | |
| SCHEMBL15184061 | 0.72 | TSHR (0.39) | ALDH1A1ALOX5PTGS2MAPK1KDM4E | |
| Cyanide SCHEMBL27972108 | 0.72 | GABRA1 (0.85) | GABRA1GABRB2MAPTL3MBTL1CYP2D6 | |
| SCHEMBL2810417 | 0.72 | TSHR (0.36) | ALDH1A1MEN1KMT2AALOX5PTGS2 | |
| SCHEMBL31075131 | 0.71 | LIPG (0.55) | GABRA1GABRB2MEN1KMT2AALOX5 | |
| SCHEMBL30529905 | 0.70 | ESR1 (0.38) | ALDH1A1MEN1KMT2AALOX5PTGS2 |
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-2010114978-A1 | RENIN INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2010-10-07 | — | — | WO | disclosed |