Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28757409 | 0.93 | S1PR1 (0.40) | S1PR1PTGS1PTGS2NPC1MEN1 | |
| SCHEMBL5907261 | 0.85 | PTGS2 (0.45) | S1PR1PTGS1PTGS2NPC1RAB9A | |
| SCHEMBL27653952 | 0.82 | MAP4K1 (0.43) | S1PR1PTGS1PTGS2CHRNB2CHRNA7 | |
| SCHEMBL5907288 | 0.82 | PTGS2 (0.36) | S1PR1PTGS1PTGS2CHRNB2CHRNA7 | |
| SCHEMBL5907422 | 0.77 | CHRNB2 (0.39) | S1PR1CHRNB2CHRNA7CHRNA4NPC1 | |
| SCHEMBL5907410 | 0.77 | PDCD1 (0.38) | S1PR1PTGS1PTGS2CHRNB2CHRNA7 | |
| SCHEMBL5907378 | 0.77 | ALDH1A1 (0.42) | PTGS2CHRNB2CHRNA7CHRNA4L3MBTL1 | |
| SCHEMBL5907360 | 0.75 | ALDH1A1 (0.60) | NPC1RAB9AMEN1NFKB1NFKB2 | |
| SCHEMBL5907291 | 0.75 | MAP4K1 (0.41) | CHRNB2CHRNA7CHRNA4L3MBTL1MAPT | |
| SCHEMBL5907388 | 0.75 | SSTR5 (0.37) | CHRNB2CHRNA7CHRNA4L3MBTL1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1768051-A | Substituted pyrazoles | MERCK PATENT GMBH (DE) | 2006-05-03 | — | — | CN | disclosed |