Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 18/20 | 0.64 |
| ▸ | S1PR3 | Q99500 | 7/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4426038 | 0.89 | S1PR1 (0.78) | S1PR1S1PR3KCNH2 | |
| SCHEMBL2982991 | 0.87 | S1PR1 (0.80) | S1PR1S1PR3KCNH2 | |
| Hydrochloric Acid SCHEMBL2991865 | 0.86 | S1PR1 (0.79) | S1PR1S1PR3KCNH2 | |
| SCHEMBL566253 | 0.84 | S1PR1 (0.67) | S1PR1S1PR3NPC1MAPTSMN1; SMN2 | |
| SCHEMBL566042 | 0.78 | S1PR1 (1.00) | S1PR1S1PR3NPC1MAPTSMN1; SMN2 | |
| SCHEMBL566600 | 0.78 | S1PR1 (0.59) | S1PR1S1PR3NPC1MAPTSMN1; SMN2 | |
| SCHEMBL2602064 | 0.76 | S1PR1 (1.00) | S1PR1S1PR3KCNH2 | |
| SCHEMBL2121369 | 0.76 | S1PR1 (0.76) | S1PR1S1PR3KCNH2SMN1; SMN2 | |
| SCHEMBL566029 | 0.76 | S1PR1 (0.59) | S1PR1S1PR3NPC1MAPTSMN1; SMN2 | |
| SCHEMBL566290 | 0.76 | S1PR1 (0.76) | S1PR1S1PR3 |
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-2009151621-A1 | SUBSTITUTED (1, 2, 4-0XADIAZ0L-3-YL) INDOLIN-1-YL CARBOXYLIC ACID DERIVATIVES USEFUL AS S1P1 AGONISTS | ARENA PHARMACEUTICALS, INC. (US) | 2009-12-17 | — | — | WO | disclosed |