Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 7/20 | 0.47 |
| ▸ | ACACB | O00763 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | GPR132 | Q9UNW8 | 3/20 | 0.41 |
| ▸ | PSMB11 | A5LHX3 | 1/20 | 0.41 |
| ▸ | PSMA7 | O14818 | 1/20 | 0.41 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.41 |
| ▸ | PSMA1 | P25786 | 1/20 | 0.41 |
| ▸ | PSMA2 | P25787 | 1/20 | 0.41 |
| ▸ | PSMA3 | P25788 | 1/20 | 0.41 |
| ▸ | PSMA4 | P25789 | 1/20 | 0.41 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.41 |
| ▸ | PSMB9 | P28065 | 1/20 | 0.41 |
| ▸ | PSMA5 | P28066 | 1/20 | 0.41 |
| ▸ | PSMB4 | P28070 | 1/20 | 0.41 |
| ▸ | PSMB6 | P28072 | 1/20 | 0.41 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.41 |
| ▸ | PSMB10 | P40306 | 1/20 | 0.41 |
| ▸ | PSMB3 | P49720 | 1/20 | 0.41 |
| ▸ | PSMB2 | P49721 | 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 | |
|---|---|---|---|---|
| SCHEMBL7422064 | 0.96 | CTSD (0.47) | CTSDACACBCYP3A4GPR132PSMB11 | |
| SCHEMBL7425885 | 0.95 | CTSD (0.44) | CTSDACACBCYP3A4GPR132PSMB11 | |
| SCHEMBL9095899 | 0.94 | CTSD (0.53) | CTSDPSMB11PSMA7PSMB1PSMA1 | |
| SCHEMBL8945246 | 0.94 | CTSD (0.53) | CTSDPSMB11PSMA7PSMB1PSMA1 | |
| SCHEMBL8054257 | 0.90 | CTSD (0.48) | CTSDPSMB11PSMA7PSMB1PSMA1 | |
| SCHEMBL7423701 | 0.88 | CTSD (0.51) | CTSDPSMB11PSMA7PSMB1PSMA1 | |
| SCHEMBL7417968 | 0.88 | GPR132 (0.44) | CTSDACACBCYP3A4GPR132ELANE | |
| SCHEMBL7421246 | 0.88 | GPR132 (0.44) | CTSDACACBCYP3A4GPR132ELANE | |
| SCHEMBL7418529 | 0.87 | REN (0.47) | ACACBCYP3A4GPR132REN | |
| SCHEMBL8945683 | 0.86 | CTSD (0.52) | CTSDPSMB11PSMA7PSMB1PSMA1 |
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-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 |