Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 9/20 | 0.31 |
| ▸ | MAOA | P21397 | 7/20 | 0.31 |
| ▸ | KDM1A | O60341 | 5/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7549855 | 0.84 | TSHR (0.42) | TSHRSLC6A2SLC6A3SLC6A4MAOB | |
| SCHEMBL7547948 | 0.76 | SLC6A3 (0.36) | TSHRSLC6A2SLC6A3SLC6A4MMP9 | |
| SCHEMBL7550412 | 0.71 | CFTR (0.39) | POLB | |
| SCHEMBL7552162 | 0.70 | EPHX1 (0.41) | CYP2C19CYP2D6CYP2C9LMNACYP3A4 | |
| SCHEMBL7550942 | 0.70 | SLC6A2 (0.45) | TSHRSLC6A2SLC6A3SLC6A4CYP2C19 | |
| SCHEMBL5057401 | 0.70 | EPHX1 (0.36) | TSHRMMP9MMP1 | |
| SCHEMBL3189756 | 0.69 | MAOB (0.48) | SLC6A2SLC6A3MAOBMAOAKDM1A | |
| SCHEMBL3189760 | 0.69 | MAOB (0.48) | SLC6A2SLC6A3MAOBMAOAKDM1A | |
| SCHEMBL28117704 | 0.67 | TSHR (0.36) | TSHRSLC6A2SLC6A3SLC6A4MAOB | |
| SCHEMBL17716828 | 0.65 | TSHR (0.50) | TSHRSLC6A2SLC6A3SLC6A4MAOB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002051883-A1 | SYNTHESIS OF NOVEL HETEROCYCLIC MOLECULES OXYGENATED BY METATHESIS REACTION ON SOLID SUPPORT USING NOVEL SILYLATED LINKERS | AVENTIS PHARMA S.A. (FR) | 2002-07-04 | — | — | WO | claimed |
| WO-2002051883-A1 | SYNTHESIS OF NOVEL HETEROCYCLIC MOLECULES OXYGENATED BY METATHESIS REACTION ON SOLID SUPPORT USING NOVEL SILYLATED LINKERS | AVENTIS PHARMA S.A. (FR) | 2002-07-04 | — | — | WO | disclosed |