Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHR1 | P34998 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4500247 | 0.85 | SMN1; SMN2 (0.38) | CRHR1SMN1; SMN2NPC1TSHRRAB9A | |
| SCHEMBL3953788 | 0.84 | NPC1 (0.37) | CRHR1SMN1; SMN2NPC1TSHRRAB9A | |
| SCHEMBL4044503 | 0.77 | SMN1; SMN2 (0.35) | CRHR1SMN1; SMN2 | |
| SCHEMBL6515580 | 0.71 | LMNA (0.43) | SMN1; SMN2NPC1RAB9A | |
| SCHEMBL9668468 | 0.68 | ESR2 (0.47) | SMN1; SMN2 | |
| SCHEMBL25194674 | 0.68 | SMN1; SMN2 (0.36) | SMN1; SMN2NPC1TSHRRAB9A | |
| SCHEMBL7957225 | 0.66 | GABRA1 (0.35) | SMN1; SMN2NPC1 | |
| SCHEMBL25211116 | 0.66 | SMN1; SMN2 (0.38) | SMN1; SMN2NPC1RAB9A | |
| SCHEMBL1842317 | 0.64 | SMN1; SMN2 (0.48) | SMN1; SMN2NPC1TSHRRAB9A | |
| SCHEMBL25193298 | 0.63 | SMN1; SMN2 (0.40) | SMN1; SMN2NPC1TSHRRAB9A |
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-1697333-A4 | (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS | MERCK & CO INC (US) | 2009-07-08 | — | — | EP | disclosed |
| EP-1697333-A1 | (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005058848-A1 | (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2005-06-30 | — | — | WO | disclosed |