Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 13/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3756948 | 0.92 | S1PR1 (0.45) | S1PR1NPC1RAB9APKMKMT2A | |
| SCHEMBL27962933 | 0.90 | ALDH1A1 (0.41) | S1PR1NPC1RAB9APKMKMT2A | |
| SCHEMBL27847628 | 0.88 | NPC1 (0.39) | S1PR1NPC1RAB9APKMKMT2A | |
| SCHEMBL3751149 | 0.87 | ALOX5 (0.43) | S1PR1NPC1RAB9APKMKMT2A | |
| SCHEMBL10179521 | 0.85 | ALDH1A1 (0.40) | S1PR1NPC1RAB9APKMKMT2A | |
| SCHEMBL3748523 | 0.85 | S1PR1 (0.41) | S1PR1NPC1RAB9APKMKMT2A | |
| SCHEMBL10181543 | 0.85 | RAB9A (0.43) | S1PR1NPC1RAB9APKMKMT2A | |
| SCHEMBL3755464 | 0.85 | S1PR1 (0.41) | S1PR1NPC1RAB9APKMKMT2A | |
| SCHEMBL13765565 | 0.85 | S1PR1 (0.41) | S1PR1NPC1RAB9APKMKMT2A | |
| SCHEMBL3750984 | 0.85 | S1PR1 (0.41) | S1PR1NPC1RAB9APKMKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-101918395-B | Triazole oxadiazole derivatives | MERCK SERONO SA | 2014-04-16 | — | — | CN | disclosed |
| CN-101918395-A | Triazole oxadiazole derivatives | MERCK SERONO SA | 2010-12-15 | — | — | CN | disclosed |