Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 2/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.43 |
| ▸ | MME | P08473 | 1/20 | 0.42 |
| ▸ | ACE | P12821 | 1/20 | 0.42 |
| ▸ | CPA1 | P15085 | 1/20 | 0.42 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 2/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | CMA1 | P23946 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7933938 | 0.92 | CTSD (0.47) | CTSDITGB3ITGA2BMMEACE | |
| SCHEMBL8945566 | 0.92 | CTSD (0.47) | CTSDITGB3ITGA2BMMEACE | |
| SCHEMBL8945610 | 0.88 | MME (0.45) | CTSDITGB3ITGA2BMMEACE | |
| SCHEMBL7421155 | 0.87 | CTSD (0.43) | CTSDITGB3ITGA2BMMEACE | |
| SCHEMBL8041651 | 0.86 | MME (0.47) | CTSDITGB3ITGA2BMMEACE | |
| SCHEMBL7422223 | 0.86 | ITGB3 (0.45) | CTSDITGB3ITGA2BMMEACE | |
| SCHEMBL7425178 | 0.86 | GPR132 (0.44) | CTSDITGB3ITGA2BCTSSCTSK | |
| SCHEMBL7417968 | 0.86 | GPR132 (0.44) | CTSDCTSSCTSK | |
| SCHEMBL7421246 | 0.86 | GPR132 (0.44) | CTSDCTSSCTSK | |
| SCHEMBL8736216 | 0.85 | CTSD (0.53) | CTSDITGB3ITGA2BMMEACE |
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-0707564-B1 | DIFLUORO STATONE ANALOGS | MERRELL PHARMA INC (US) | 2000-09-20 | — | — | EP | claimed |
| EP-0707564-B1 | DIFLUORO STATONE ANALOGS | MERRELL PHARMA INC (US) | 2000-09-20 | — | — | EP | disclosed |
| US-6114380-A | ANTIVIRAL AGENT; ADMINISTERING TO TREAT HIV INFECTION; N-(4-(N-BENZYLOXYCARBONYL-L-VALYL)AMINO-2,2-DIFLUORO-1,3-DIOXO-5-(4-(2-N -MORPHOLYL)ETHYLOXY)PHENYL-PENTYL)-O-((2-PYRIDYL)METHYL)-D-VALINOL, FOR EXAMPLE | MERRELL PHARMACEUTICALS INC. (US) | 2000-09-05 | — | — | US | disclosed |
| WO-1995001958-A1 | DIFLUORO STATONE ANALOGS | MERRELL PHARMACEUTICALS INC. (US) | 1995-01-19 | — | — | WO | disclosed |