Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRS3 | P32247 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 5/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 5/20 | 0.37 |
| ▸ | EDNRA | P25101 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL8214551 | 0.99 | BRS3 (0.40) | BRS3CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL8215510 | 0.84 | BRS3 (0.41) | BRS3CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6943904 | 0.72 | CYP3A4 (0.44) | BRS3CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6171617 | 0.71 | SLC22A12 (0.38) | BRS3CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7373918 | 0.70 | KMT2A (0.39) | CYP3A4CYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL6940934 | 0.70 | CYP3A4 (0.42) | BRS3CYP3A4CYP1A2CYP2D6CYP2C9 | |
| Iodide SCHEMBL10568190 | 0.69 | KMT2A (0.38) | CYP3A4CYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL10871043 | 0.69 | CYP3A4 (0.46) | BRS3CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL12404328 | 0.69 | CRHBP (0.43) | BRS3CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6584800 | 0.69 | TAS1R3 (0.40) | CYP3A4TAS1R3TAS1R1EDNRAMEN1 |
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-0888341-B1 | NOVEL SULPHUR DERIVATIVES COMPRISING AN AMIDE BOND, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES | AVENTIS PHARMA SA (FR) | 2005-11-30 | — | — | EP | disclosed |
| EP-0888341-A1 | NOVEL SULPHUR DERIVATIVES COMPRISING AN AMIDE BOND, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES | HOECHST MARION ROUSSEL (FR) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997032874-A1 | NOVEL SULPHUR DERIVATIVES COMPRISING AN AMIDE BOND, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES | HOECHST MARION ROUSSEL (FR) | 1997-09-12 | — | — | WO | disclosed |