Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | CASP1 | P29466 | 1/20 | 0.51 |
| ▸ | CASP7 | P55210 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.47 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10279067 | 0.86 | LMNA (0.43) | ALDH1A1KDM4EMAPTCASP1CASP7 | |
| SCHEMBL18074482 | 0.85 | HTT (0.53) | ALDH1A1MAPTHTTTSHRHCRTR1 | |
| SCHEMBL6616501 | 0.85 | TSHR (0.45) | ALDH1A1KDM4EMAPTHTTTSHR | |
| SCHEMBL27521277 | 0.85 | HTT (0.45) | HTTMEN1KMT2ATSHRLMNA | |
| SCHEMBL11953188 | 0.85 | TSHR (0.45) | KDM4EHTTMEN1KMT2ATSHR | |
| SCHEMBL24696326 | 0.85 | TSHR (0.57) | ALDH1A1KDM4EMAPTHTTTSHR | |
| SCHEMBL3408173 | 0.85 | ALDH1A1 (0.50) | ALDH1A1KDM4EMAPTCASP1CASP7 | |
| SCHEMBL14186001 | 0.85 | HPGD (0.47) | ALDH1A1MAPTHTTMEN1KMT2A | |
| SCHEMBL14185996 | 0.85 | MAOB (0.47) | ALDH1A1KDM4EHTTMEN1KMT2A | |
| SCHEMBL14669007 | 0.84 | SMN1; SMN2 (0.51) | ALDH1A1HTTMEN1KMT2ATSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1282420-A4 | HALOGENATED 2-AMINO-3, 4 HEPTENOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | PHARMACIA CORP (US) | 2004-12-29 | — | — | EP | disclosed |
| US-6586471-B1 | Oxidoreductase inhibitors such as 2-amino-4-fluoro-7-((1-iminoethyl)amino)-3-heptenoic acid, dihydrochloride used as preferential antiinflammatory and antiproliferative agents | G. D. SEARLE | 2003-07-01 | — | — | US | disclosed |
| EP-1282420-A2 | HALOGENATED 2-AMINO-3, 4 HEPTENOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | Pharmacia Corporation (US) | 2003-02-12 | — | — | EP | disclosed |
| WO-2001078654-A2 | HALOGENTATED 2-AMINO-3, 4 HEPTENOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | PHARMACIA CORPORATION (US) | 2001-10-25 | — | — | WO | disclosed |