Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PREP | P48147 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | FDPS | P14324 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 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 | |
|---|---|---|---|---|
| SCHEMBL6600488 | 0.79 | SIGMAR1 (0.41) | HRH3USP2SMN1; SMN2HTTATM | |
| SCHEMBL17025687 | 0.79 | HRH3 (0.35) | KMT2AHRH3USP2SMN1; SMN2HTT | |
| SCHEMBL27793003 | 0.76 | ALDH1A1 (0.41) | MEN1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3825201 | 0.75 | HSD17B10 (0.45) | MEN1KMT2AHRH3SMN1; SMN2ALDH1A1 | |
| SCHEMBL7280643 | 0.74 | PREP (0.33) | PREP | |
| SCHEMBL23096731 | 0.73 | HRH3 (0.40) | MEN1CYP2D6KMT2AHRH3USP2 | |
| SCHEMBL4435334 | 0.72 | FDPS (0.43) | MEN1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7419074 | 0.72 | HRH3 (0.37) | HRH3KDM4E | |
| SCHEMBL4344525 | 0.71 | HRH3 (0.38) | HRH3HTTALDH1A1HPGD | |
| SCHEMBL4337458 | 0.71 | HRH3 (0.38) | HRH3HTTALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2590954-A1 | BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS | ABBVIE B.V. (NL) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012004375-A1 | BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS | ABBOTT HEALTHCARE PRODUCTS B.V. (NL) | 2012-01-12 | — | — | WO | disclosed |