Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | TLR4 | O00206 | 1/20 | 0.50 |
| ▸ | TLR2 | O60603 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | ERN1 | O75460 | 1/20 | 0.49 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.47 |
| ▸ | RXRA | P19793 | 1/20 | 0.47 |
| ▸ | RXRB | P28702 | 1/20 | 0.47 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14195860 | 0.96 | DRD1 (0.54) | DRD1SMN1; SMN2ALDH1A1LMNAMAPT | |
| SCHEMBL13617789 | 0.94 | TSHR (0.52) | DRD1SMN1; SMN2ALDH1A1LMNAMAPT | |
| SCHEMBL13617907 | 0.94 | TSHR (0.52) | DRD1SMN1; SMN2ALDH1A1LMNAMAPT | |
| SCHEMBL416498 | 0.93 | ERN1 (0.56) | DRD1SMN1; SMN2ALDH1A1LMNAMAPT | |
| SCHEMBL12827005 | 0.90 | TLR4 (0.55) | SMN1; SMN2ALDH1A1LMNAMAPTHPGD | |
| SCHEMBL17157579 | 0.86 | RXRA (0.61) | DRD1SMN1; SMN2ALDH1A1MAPTRXRA | |
| SCHEMBL3077169 | 0.86 | ALDH1A1 (0.67) | DRD1SMN1; SMN2ALDH1A1LMNAMAPT | |
| SCHEMBL197506 | 0.84 | CYP19A1 (0.64) | SMN1; SMN2CYP19A1CYP2C9CYP2C19TLR4 | |
| SCHEMBL510596 | 0.83 | TLR4 (0.64) | SMN1; SMN2ALDH1A1LMNAMAPTHPGD | |
| SCHEMBL7288765 | 0.83 | ALDH1A1 (0.63) | SMN1; SMN2ALDH1A1LMNAMAPTHPGD |
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 |