Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 5/20 | 0.73 |
| ▸ | MAPT | P10636 | 4/20 | 0.73 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.60 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.57 |
| ▸ | TP53 | P04637 | 4/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.57 |
| ▸ | THPO | P40225 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL11782443 | 0.96 | GAA (0.68) | GAAMAPTNR1I2ADORA3CYP2C9 | |
| SCHEMBL11782732 | 0.91 | NR1I2 (0.64) | GAAMAPTNR1I2ADORA3CYP2C9 | |
| SCHEMBL11780614 | 0.87 | MAPT (0.61) | GAAMAPTNR1I2ADORA3CYP2C9 | |
| SCHEMBL11782746 | 0.87 | NR1I2 (0.59) | GAAMAPTNR1I2ADORA3CYP2C9 | |
| SCHEMBL7362882 | 0.86 | NR1I2 (0.64) | GAAMAPTNR1I2ADORA3CYP2C9 | |
| SCHEMBL11783778 | 0.85 | GAA (0.55) | GAAMAPTNR1I2CYP2C9TP53 | |
| SCHEMBL11780629 | 0.84 | MAPT (0.57) | GAAMAPTNR1I2ADORA3CYP2C9 | |
| SCHEMBL11784644 | 0.83 | GAA (0.56) | GAAMAPTNR1I2ADORA3CYP2C9 | |
| SCHEMBL17371182 | 0.82 | KDM4E (0.60) | GAAMAPTNR1I2ADORA3CYP2C9 | |
| SCHEMBL11783784 | 0.81 | GAA (0.52) | GAAMAPTCYP2C9TP53CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-3968117-A | CARDIOVASCULAR | BAYER AKTIENGESELLSCHAFT (DT) | 1976-07-06 | — | — | US | disclosed |
| US-3959296-A | CARDIOVASCULAR AGENTS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-05-25 | — | — | US | disclosed |