Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 20/20 | 0.64 |
| ▸ | TP53 | P04637 | 2/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.64 |
| ▸ | TSHR | P16473 | 2/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | HTR2A | P28223 | 4/20 | 0.59 |
| ▸ | HTR2C | P28335 | 4/20 | 0.59 |
| ▸ | HTR2B | P41595 | 4/20 | 0.59 |
| ▸ | DRD2 | P14416 | 3/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | MTOR | P42345 | 1/20 | 0.54 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL13855275 | 0.85 | SIGMAR1 (0.67) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8246067 | 0.85 | SIGMAR1 (0.52) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL326697 | 0.80 | SIGMAR1 (0.55) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL466954 | 0.79 | SIGMAR1 (1.00) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL22545216 | 0.78 | SIGMAR1 (0.50) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL2517838 | 0.76 | SIGMAR1 (0.54) | SIGMAR1HTR2A | |
| SCHEMBL8237648 | 0.75 | SIGMAR1 (0.44) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6841309 | 0.74 | SIGMAR1 (1.00) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL22520497 | 0.73 | CYP2D6 (0.41) | SIGMAR1CYP2D6HTR2AHTR2CHTR2B | |
| SCHEMBL25855001 | 0.73 | CHRM2 (0.41) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 |
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 |