Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CASP3 | P42574 | 6/20 | 0.34 |
| ▸ | GSK3B | P49841 | 3/20 | 0.33 |
| ▸ | CASP2 | P42575 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | S100A4 | P26447 | 2/20 | 0.31 |
| ▸ | PTPRC | P08575 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1256987 | 0.77 | KDM4E (0.40) | POLBKDM4EALDH1A1GAAHPGD | |
| SCHEMBL10731506 | 0.75 | CYSLTR2 (0.39) | KDM4EALDH1A1GAAHPGDHSD17B10 | |
| SCHEMBL9136212 | 0.75 | ALDH1A1 (0.38) | POLBKDM4EALDH1A1GAAHPGD | |
| SCHEMBL6033869 | 0.75 | KDM4E (0.38) | KDM4EALDH1A1GAAHPGDHSD17B10 | |
| SCHEMBL10384426 | 0.74 | KDM4E (0.40) | KDM4EALDH1A1GAAHPGDHSD17B10 | |
| SCHEMBL11189703 | 0.73 | ALDH1A1 (0.31) | ALDH1A1GAACYP3A4TDP1MAPT | |
| SCHEMBL28620531 | 0.73 | KDM4E (0.37) | KDM4EALDH1A1GAAHPGDHSD17B10 | |
| SCHEMBL30876940 | 0.73 | KDM4E (0.43) | POLBKDM4EALDH1A1GAAHPGD | |
| SCHEMBL6285442 | 0.72 | KDM4E (0.38) | POLBKDM4EALDH1A1GAAHPGD | |
| SCHEMBL4909210 | 0.72 | ALDH1A1 (0.38) | POLBKDM4EALDH1A1GAAHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1012165-A1 | PROCESS FOR THE PREPARATION OF N-METHYL-D-PHENYLALANYL-N- 1- 3- (AMINOIMINOMETHYL)AMINO]PROPYL]-3,3-DIFLUORO-2-OXOHEXYL]-L-PROLINAMIDE | Aventis Pharmaceuticals Inc. (US) | 2000-06-28 | — | — | EP | disclosed |
| US-5739354-A | ONE-STEP GUANYLATION OF 9,6-DIAMINO-5-HYDROXY-4,4-DIFLUORONONANE OR SALT; SIMPLIFICATION, HIGH YIELD END PRODUCT | HOECHST MARION ROUSSEL, INC. (US) | 1998-04-14 | — | — | US | disclosed |
| WO-1997035874-A1 | PROCESS FOR THE PREPARATION OF N-METHYL-D-PHENYLALANYL-N-[1-[3-[(AMINOIMINOMETHYL)AMINO]PROPYL]-3,3-DIFLUORO-2-OXOHEXYL]-L-PROLINAMIDE | HOECHST MARION ROUSSEL, INC. (US) | 1997-10-02 | — | — | WO | disclosed |