Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | EGFR | P00533 | 2/20 | 0.51 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MLYCD | O95822 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28927275 | 1.00 | CNR2 (0.53) | CNR2HPGDGAAEGFRERBB2 | |
| SCHEMBL10758915 | 0.88 | EGFR (0.61) | CNR2HPGDGAAEGFRERBB2 | |
| SCHEMBL10725111 | 0.88 | EGFR (0.61) | CNR2HPGDGAAEGFRERBB2 | |
| SCHEMBL10759435 | 0.88 | EGFR (0.61) | CNR2HPGDGAAEGFRERBB2 | |
| SCHEMBL9645501 | 0.87 | EGFR (0.63) | CNR2HPGDGAAEGFRERBB2 | |
| SCHEMBL14195843 | 0.86 | CNR2 (0.49) | CNR2HPGDGAAALDH1A1HDAC1 | |
| SCHEMBL10767369 | 0.82 | RARB (0.57) | CNR2HPGDGAAEGFRERBB2 | |
| SCHEMBL21708320 | 0.82 | HSD17B3 (0.57) | CNR2HPGDGAAEGFRERBB2 | |
| SCHEMBL27899698 | 0.82 | EGFR (0.55) | CNR2HPGDGAAEGFRERBB2 | |
| SCHEMBL10762716 | 0.82 | RARB (0.57) | CNR2HPGDGAAEGFRERBB2 |
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 |