Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRB | P24530 | 5/20 | 0.44 |
| ▸ | EDNRA | P25101 | 4/20 | 0.44 |
| ▸ | BRS3 | P32247 | 2/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8543816 | 0.97 | EDNRB (0.42) | EDNRBEDNRABRS3 | |
| SCHEMBL8540287 | 0.92 | MRGPRX4 (0.41) | EDNRBEDNRABRS3MRGPRX4KDM4E | |
| SCHEMBL8540186 | 0.91 | GPR17 (0.40) | EDNRBEDNRA | |
| SCHEMBL8541345 | 0.88 | EDNRB (0.38) | EDNRBKDM4E | |
| SCHEMBL8543925 | 0.87 | PDE5A (0.41) | EDNRBEDNRA | |
| SCHEMBL8546149 | 0.87 | RXRA (0.41) | KDM4E | |
| SCHEMBL8545962 | 0.86 | PTGER1 (0.35) | — | |
| SCHEMBL8545082 | 0.86 | CHEK2 (0.36) | KDM4E | |
| SCHEMBL8546899 | 0.85 | MRGPRX4 (0.41) | BRS3MRGPRX4 | |
| SCHEMBL8540650 | 0.85 | ALDH1A1 (0.46) | KDM4EALDH1A1CYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0800389-A4 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 1998-04-29 | — | — | EP | claimed |
| EP-0800389-A1 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-10-15 | — | — | EP | claimed |
| WO-1996018393-A1 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1996-06-20 | — | — | WO | claimed |