Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | DRD1 | P21728 | 1/20 | 0.52 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.48 |
| ▸ | ERN1 | O75460 | 1/20 | 0.47 |
| ▸ | PLA2G4B | P0C869 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | RARB | P10826 | 3/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.45 |
| ▸ | GGPS1 | O95749 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL13617789 | 1.00 | TSHR (0.52) | TSHRDRD1SMPD1ERN1PLA2G4B | |
| SCHEMBL14195860 | 0.99 | DRD1 (0.54) | TSHRDRD1SMPD1ERN1PLA2G4B | |
| SCHEMBL13618270 | 0.94 | DRD1 (0.55) | TSHRDRD1ERN1NR1H4ALDH1A1 | |
| SCHEMBL416498 | 0.90 | ERN1 (0.56) | DRD1ERN1ALDH1A1LMNAMAPT | |
| SCHEMBL2123631 | 0.85 | ALDH1A1 (0.61) | TSHRPLA2G4BRARBALDH1A1LMNA | |
| SCHEMBL7289971 | 0.85 | ALDH1A1 (0.61) | TSHRPLA2G4BRARBALDH1A1LMNA | |
| SCHEMBL3086009 | 0.85 | ALDH1A1 (0.61) | TSHRPLA2G4BRARBALDH1A1LMNA | |
| SCHEMBL3071049 | 0.85 | ALDH1A1 (0.61) | TSHRPLA2G4BRARBALDH1A1LMNA | |
| SCHEMBL17143201 | 0.85 | TSHR (0.69) | TSHRSMPD1PLA2G4BNR1H4SMN1; SMN2 | |
| SCHEMBL2151432 | 0.85 | TSHR (0.69) | TSHRSMPD1PLA2G4BNR1H4SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1575964-B1 | N-(BENZYL)AMINOALKYL CARBOXYLATE, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS | MERCK & CO INC (US) | 2009-11-11 | — | — | EP | disclosed |
| US-7351725-B2 | N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as Edg receptor agonists | MERCK & CO., INC. (US) | 2008-04-01 | — | — | US | disclosed |
| US-7351725-B2 | N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as Edg receptor agonists | MERCK & CO., INC. (US) | 2008-04-01 | — | — | US | disclosed |