Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | PGR | P06401 | 2/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11780614 | 0.91 | MAPT (0.61) | GAAMAPTKDM4EHSD17B10CASP1 | |
| SCHEMBL11780629 | 0.87 | MAPT (0.57) | GAAMAPTKDM4ECYP2C9CYP3A4 | |
| SCHEMBL17371182 | 0.84 | KDM4E (0.60) | GAAMAPTKDM4EHSD17B10CASP1 | |
| SCHEMBL11782425 | 0.83 | GAA (0.73) | GAAMAPTKDM4EHSD17B10CYP2C9 | |
| SCHEMBL11783778 | 0.82 | GAA (0.55) | GAAMAPTCYP2C9CYP3A4CYP2C19 | |
| SCHEMBL17367954 | 0.80 | KDM4E (0.55) | GAAMAPTKDM4EHSD17B10CASP1 | |
| SCHEMBL3001176 | 0.80 | DHFR (0.66) | GAAMAPTKDM4EHSD17B10CASP1 | |
| SCHEMBL11093810 | 0.79 | MEN1 (0.60) | GAAMAPTKDM4EHSD17B10CASP1 | |
| SCHEMBL11782443 | 0.79 | GAA (0.68) | GAAMAPTKDM4EHSD17B10CYP2C9 | |
| SCHEMBL11782732 | 0.79 | NR1I2 (0.64) | GAAMAPTKDM4EHSD17B10CYP2C9 |
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 |