Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 3/20 | 0.53 |
| ▸ | KDM1A | O60341 | 4/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 7/20 | 0.48 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.42 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4056984 | 1.00 | PTGS1 (0.53) | PTGS1KDM1APTGS2ALOX5NFE2L2 | |
| SCHEMBL29905751 | 0.81 | KDM1A (0.57) | PTGS1KDM1ANFE2L2GRM4HDAC1 | |
| SCHEMBL2879571 | 0.81 | NFE2L2 (0.52) | PTGS1KDM1APTGS2ALOX5NFE2L2 | |
| SCHEMBL2879570 | 0.81 | NFE2L2 (0.52) | PTGS1KDM1APTGS2ALOX5NFE2L2 | |
| SCHEMBL9000405 | 0.77 | KDM1A (0.36) | KDM1AALOX5GRM4HDAC1HDAC6 | |
| SCHEMBL20282118 | 0.75 | CNR2 (0.48) | PTGS1KDM1APTGS2ALOX5HDAC1 | |
| SCHEMBL12185880 | 0.74 | NQO2 (0.50) | PTGS1KDM1APTGS2ALOX5NFE2L2 | |
| SCHEMBL8144072 | 0.73 | NFE2L2 (0.58) | PTGS1KDM1ANFE2L2GRM4HDAC1 | |
| SCHEMBL8144070 | 0.73 | NFE2L2 (0.58) | PTGS1KDM1ANFE2L2GRM4HDAC1 | |
| SCHEMBL4265348 | 0.72 | LCK (0.74) | PTGS1KDM1APTGS2ALOX5NFE2L2 |
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-2009120655-A1 | INDOLE DERIVATIVES | H. LUNDBECK A/S (DK) | 2009-10-01 | — | — | WO | disclosed |