Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 5/20 | 0.37 |
| ▸ | PGR | P06401 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 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 | |
|---|---|---|---|---|
| SCHEMBL27633455 | 0.93 | S1PR1 (0.39) | S1PR1NPSR1L3MBTL1NPC1DHODH | |
| SCHEMBL5907261 | 0.81 | PTGS2 (0.45) | S1PR1NR3C1PGRLMNANPSR1 | |
| SCHEMBL7262216 | 0.76 | HTR2C (0.40) | L3MBTL1MAPT | |
| SCHEMBL5741014 | 0.76 | CYP2A13 (0.43) | LMNAL3MBTL1NPC1MAPTALOX5AP | |
| SCHEMBL5907297 | 0.76 | FABP3 (0.38) | S1PR1NR3C1LMNANPSR1NPC1 | |
| SCHEMBL27653952 | 0.75 | MAP4K1 (0.43) | S1PR1L3MBTL1NPC1MAPTALOX5AP | |
| SCHEMBL5907288 | 0.75 | PTGS2 (0.36) | S1PR1NPC1DHODHMEN1KMT2A | |
| SCHEMBL5907378 | 0.70 | ALDH1A1 (0.42) | L3MBTL1PTGS2 | |
| SCHEMBL5907410 | 0.70 | PDCD1 (0.38) | S1PR1NPC1ALOX5APFEN1PTGS1 | |
| SCHEMBL5907422 | 0.70 | CHRNB2 (0.39) | S1PR1NPSR1L3MBTL1NPC1MAPT |
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 |