Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR7 | Q9NYK1 | 5/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.35 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.34 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRB | P28702 | 1/20 | 0.34 |
| ▸ | RXRG | P48443 | 1/20 | 0.34 |
| ▸ | TNF | P01375 | 1/20 | 0.33 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.33 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.33 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.33 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.33 |
| ▸ | VEGFA | P15692 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8714961 | 1.00 | TLR7 (0.36) | TLR7GRM4MKNK1MKNK2KDM4E | |
| SCHEMBL8710049 | 0.82 | MAPT (0.35) | GRM4KDM4ETNFKLF5NOD1 | |
| SCHEMBL8711983 | 0.82 | GSTA1 (0.41) | TLR7GRM4KDM4EARCYP2C9 | |
| SCHEMBL8710053 | 0.82 | MAPT (0.35) | GRM4KDM4ETNFKLF5NOD1 | |
| SCHEMBL8711981 | 0.82 | GSTA1 (0.41) | TLR7GRM4KDM4EARCYP2C9 | |
| SCHEMBL8772954 | 0.81 | KCNMA1 (0.38) | TLR7GRM4AR | |
| Hydrochloric Acid SCHEMBL8713283 | 0.81 | GSTA1 (0.40) | TLR7GRM4KDM4EARCYP2C9 | |
| SCHEMBL8709311 | 0.81 | ALDH1A1 (0.34) | TLR7GRM4KDM4EAR | |
| Hydrochloric Acid SCHEMBL8713280 | 0.81 | GSTA1 (0.40) | TLR7GRM4KDM4EARCYP2C9 | |
| SCHEMBL8709309 | 0.81 | ALDH1A1 (0.34) | TLR7GRM4KDM4EAR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5716971-A | FOR TREATMENT OF ANGINA PECTORIS AND HYPERTENSION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-02-10 | — | — | US | disclosed |
| EP-0623597-B1 | Pyridine derivatives, with potassium channel opening activity | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1997-10-22 | — | — | EP | disclosed |
| EP-0623597-A1 | Pyridine derivatives, with potassium channel opening activity | Takeda Chemical Industries, Ltd. (JP) | 1994-11-09 | — | — | EP | disclosed |