Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.30 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | HTR6 | P50406 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2055449 | 0.90 | S1PR1 (0.35) | S1PR1HCRTR2MAPTLMNACNR2 | |
| SCHEMBL3058248 | 0.86 | S1PR1 (0.38) | S1PR1HCRTR2PGRBCL2L1MCL1 | |
| SCHEMBL10292752 | 0.82 | PER2 (0.37) | S1PR1HCRTR2MAPTLMNA | |
| SCHEMBL10291699 | 0.79 | HCRTR2 (0.34) | S1PR1HCRTR2KEAP1NFE2L2 | |
| SCHEMBL10291700 | 0.79 | TAS1R3 (0.35) | S1PR1HCRTR2LMNAPOLB | |
| SCHEMBL10292014 | 0.78 | ALDH1A1 (0.40) | MAPTLMNA | |
| SCHEMBL10292760 | 0.78 | ALDH1A1 (0.44) | HCRTR2MAPTLMNAPOLB | |
| SCHEMBL10291993 | 0.77 | ALDH1A1 (0.38) | S1PR1MAPTPOLB | |
| SCHEMBL2099883 | 0.75 | S1PR1 (0.31) | S1PR1 | |
| SCHEMBL13658664 | 0.75 | PSEN1 (0.38) | S1PR1HCRTR2MAPTKEAP1NFE2L2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009030715-A1 | ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-12 | — | — | WO | disclosed |