Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 5/20 | 0.38 |
| ▸ | CNR1 | P21554 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL773038 | 0.93 | S1PR1 (0.55) | S1PR1ALDH1A1LMNATSHRTP53 | |
| SCHEMBL775210 | 0.78 | S1PR1 (0.43) | S1PR1ALDH1A1LMNATSHRTP53 | |
| SCHEMBL1703767 | 0.76 | AKR1B1 (0.50) | S1PR1TSHRCNR2CNR1GAA | |
| SCHEMBL774234 | 0.75 | S1PR1 (0.44) | S1PR1ALDH1A1LMNATSHRTP53 | |
| SCHEMBL771644 | 0.72 | S1PR1 (0.44) | S1PR1ALDH1A1LMNATSHRMEN1 | |
| SCHEMBL773983 | 0.72 | AKR1B1 (0.47) | S1PR1ALDH1A1LMNATSHRTP53 | |
| SCHEMBL772932 | 0.71 | S1PR1 (0.44) | S1PR1ALDH1A1LMNAMAPTCNR2 | |
| SCHEMBL1543797 | 0.71 | S1PR1 (0.45) | S1PR1ALDH1A1TSHRCNR2CNR1 | |
| SCHEMBL4658742 | 0.70 | KCNH2 (0.64) | LMNAMAPTKMT2ASMN1; SMN2NPC1 | |
| SCHEMBL772948 | 0.68 | HPGD (0.39) | S1PR1LMNATSHRTP53KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2440554-A1 | PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS | Merck Serono S.A. (CH) | 2012-04-18 | — | — | EP | disclosed |
| WO-2010142628-A1 | PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS | MERCK SERONO S.A. (CH) | 2010-12-16 | — | — | WO | disclosed |