Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CCNC | P24863 | 2/20 | 0.40 |
| ▸ | CDK8 | P49336 | 2/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.40 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.38 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.38 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5907380 | 0.85 | ALDH1A1 (0.47) | CCNCCDK8NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5740057 | 0.85 | ALDH1A1 (0.47) | CCNCCDK8NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5730469 | 0.84 | PTGS2 (0.45) | PTGS1PTGS2DHODHNR3C1S1PR1 | |
| SCHEMBL5907279 | 0.84 | PTGS1 (0.39) | PTGS1PTGS2MEN1KMT2ADHODH | |
| SCHEMBL5907281 | 0.84 | PTGS1 (0.39) | PTGS1PTGS2MEN1KMT2ADHODH | |
| SCHEMBL4829146 | 0.80 | NPC1 (0.48) | PTGS1CCNCCDK8NPC1RAB9A | |
| SCHEMBL4829162 | 0.80 | NPC1 (0.48) | PTGS1CCNCCDK8NPC1RAB9A | |
| SCHEMBL7260387 | 0.76 | PTGS1 (0.43) | PTGS1PTGS2DHODHNPC1RAB9A | |
| SCHEMBL7257466 | 0.76 | PTGS2 (0.38) | PTGS1PTGS2DHODHNR3C1S1PR1 | |
| SCHEMBL5907261 | 0.75 | PTGS2 (0.45) | PTGS1PTGS2MEN1KMT2ADHODH |
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-2003031435-A1 | PYRAZOLE DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS | MERCK PATENT GMBH (DE) | 2003-04-17 | — | — | WO | disclosed |