Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 6/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 6/20 | 0.55 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.52 |
| ▸ | LMNA | P02545 | 4/20 | 0.52 |
| ▸ | PPARG | P37231 | 2/20 | 0.52 |
| ▸ | NCOA2 | Q15596 | 2/20 | 0.52 |
| ▸ | NCOA1 | Q15788 | 2/20 | 0.52 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | USP2 | O75604 | 2/20 | 0.50 |
| ▸ | APAF1 | O14727 | 1/20 | 0.50 |
| ▸ | SQOR | Q9Y6N5 | 6/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8776913 | 0.73 | ALOX5 (0.47) | LMNAALDH1A1ADORA1ALOX5PIK3CD | |
| SCHEMBL6904881 | 0.71 | PTGS2 (0.68) | KDM4EALDH1A1ALOX5 | |
| SCHEMBL29649220 | 0.70 | L3MBTL1 (1.00) | HPGDKDM4ENPSR1RXFP1L3MBTL1 | |
| SCHEMBL8040725 | 0.68 | ALOX5 (0.44) | KDM4ENPSR1KMT2ALMNAALDH1A1 | |
| SCHEMBL31695372 | 0.67 | ADORA1 (0.53) | HPGDKDM4ENPSR1RXFP1L3MBTL1 | |
| SCHEMBL8776829 | 0.67 | SQOR (0.42) | KDM4EALDH1A1SQORADORA1ALOX5 | |
| SCHEMBL28307107 | 0.67 | PTGS2 (0.47) | KDM4EKMT2AALDH1A1ALOX5MEN1 | |
| SCHEMBL9393666 | 0.66 | PTGS2 (0.66) | HPGDKDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9395238 | 0.66 | PTGS2 (0.65) | ALOX5 | |
| SCHEMBL6050700 | 0.66 | PTGS2 (0.55) | KDM4EALDH1A1ALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| US-6362190-B2 | ADMINISTERING COMPOUNDS SUCH AS 3-(2-PHENYLETHYLAMINO)-6-METHYL-1-(2-AMINO-6-METHYL-5-METHYLENE -CARBOXAMIDOMETHYLPYRIDI NYL)-2-PYRAZINONE, N'-((1-(AMINOIMINOMETHYL)4-PIPERIDINYL) METHYL)-N-(3,3-DIPHENYLPROPIONYL)-L-PROLINE AMIDE | MERCK & CO., INC. | 2002-03-26 | — | — | US | disclosed |