Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 9/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2127690 | 0.82 | CYP2B6 (0.45) | CYP2B6CHRM3KMT2AMEN1ALDH1A1 | |
| SCHEMBL2128441 | 0.82 | CYP2B6 (0.45) | CYP2B6CHRM3KMT2AMEN1ALDH1A1 | |
| SCHEMBL3043721 | 0.78 | CYP2B6 (0.59) | CYP2B6CHRM3NPSR1 | |
| SCHEMBL2127676 | 0.78 | CYP2B6 (0.59) | CYP2B6CHRM3NPSR1 | |
| SCHEMBL4444477 | 0.78 | CYP2B6 (0.59) | CYP2B6CHRM3NPSR1 | |
| SCHEMBL2126740 | 0.78 | CYP2B6 (0.59) | CYP2B6CHRM3NPSR1 | |
| SCHEMBL7592805 | 0.76 | CHRM3 (0.57) | CYP2B6CHRM3GAA | |
| SCHEMBL2126334 | 0.73 | CHRM3 (0.52) | CHRM3ALDH1A1KDM4E | |
| SCHEMBL2125963 | 0.73 | CHRM3 (0.52) | CHRM3ALDH1A1KDM4E | |
| SCHEMBL4738180 | 0.70 | CYP2B6 (0.58) | CYP2B6CHRM3NPSR1 |
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-2590955-A1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | ABBVIE B.V. (NL) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012004378-A1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | ABBOTT HEALTHCARE PRODUCTS B.V. (NL) | 2012-01-12 | — | — | WO | disclosed |