Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 2/20 | 0.62 |
| ▸ | CASP5 | P51878 | 2/20 | 0.62 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.56 |
| ▸ | CASP4 | P49662 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | HTT | P42858 | 3/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | DRD4 | P21917 | 1/20 | 0.53 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.52 |
| ▸ | HTR3B | O95264 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 1/20 | 0.52 |
| ▸ | HTR3A | P46098 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL11384876 | 0.80 | CASP1 (0.66) | CASP1CASP5SIGMAR1GAATSHR | |
| SCHEMBL11392029 | 0.79 | LMNA (0.56) | CASP1CASP5SIGMAR1CASP4GAA | |
| SCHEMBL11397097 | 0.79 | LMNA (0.59) | CASP1CASP5SIGMAR1CASP4GAA | |
| SCHEMBL5185091 | 0.79 | HTR2A (0.46) | CASP1CASP5CASP4TSHRKDM4E | |
| SCHEMBL6653131 | 0.78 | ALDH1A1 (0.59) | CASP1CASP5SIGMAR1CASP4GAA | |
| SCHEMBL20804834 | 0.76 | DRD4 (0.56) | SIGMAR1TSHRALDH1A1KDM4ELMNA | |
| SCHEMBL30063678 | 0.76 | C5AR1 (0.51) | SIGMAR1ALDH1A1KDM4ELMNAHTT | |
| Hydrochloric Acid SCHEMBL7834531 | 0.75 | NSD2 (0.65) | GAAKDM4E | |
| Hydrochloric Acid SCHEMBL7834533 | 0.75 | NSD2 (0.65) | GAAKDM4E | |
| SCHEMBL5988112 | 0.75 | CASP1 (0.43) | CASP1CASP5CASP4TSHRALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1441728-A2 | MODULATORS OF THE CHOLESTEROL BIOSYNTHETIC PATHWAY | Vertex Pharmaceuticals Incorporated (US) | 2004-08-04 | — | — | EP | disclosed |
| WO-2003037338-A2 | MODULATORS OF THE CHOLESTEROL BIOSYNTHETIC PATHWAY | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-05-08 | — | — | WO | disclosed |
| EP-0878194-A1 | REMEDIES OR PREVENTIVES FOR AIDS | SANKYO COMPANY LIMITED (JP) | 1998-11-18 | — | — | EP | disclosed |
| US-5688791-A | COMPOUNDS FOR TREATMENNT OF VIRAL DISEASES SUCH AS AIDS | UBE INDUSTRIES, LTD. (JP) | 1997-11-18 | — | — | US | disclosed |
| US-5519016-A | Aryl group- or aromatic heterocyclic group-substituted aminoquinolone derivatives and anti-HIV agent | UBE INDUSTRIES, LTD. (JP) | 1996-05-21 | — | — | US | disclosed |
| EP-0572259-A1 | Aminoquinolone derivatives as anti-HIV agents | UBE INDUSTRIES, LTD. (JP) | 1993-12-01 | — | — | EP | disclosed |