Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | REN | P00797 | 7/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 2/20 | 0.37 |
| ▸ | CTSK | P43235 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | CTSV | O60911 | 1/20 | 0.34 |
| ▸ | IL1RN | P18510 | 1/20 | 0.34 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7420013 | 0.91 | LTA4H (0.48) | RENCYP1A2CYP2D6MAPTTSHR | |
| SCHEMBL8945507 | 0.81 | LTA4H (0.55) | RENMAOBLTA4HIL1RNERAP2 | |
| SCHEMBL8945490 | 0.81 | LTA4H (0.55) | RENMAOBLTA4HIL1RNERAP2 | |
| SCHEMBL7425402 | 0.78 | LTA4H (0.48) | ACACBRENMAOBLTA4HIL1RN | |
| SCHEMBL7421310 | 0.78 | REN (0.49) | RENMAOBENPP2 | |
| SCHEMBL7421085 | 0.78 | LTA4H (0.55) | RENMAOBENPP2LTA4HIL1RN | |
| SCHEMBL8054257 | 0.76 | CTSD (0.48) | RENCA2 | |
| SCHEMBL8945580 | 0.73 | LTA4H (0.54) | RENSMN1; SMN2MAOBLTA4HIL1RN | |
| SCHEMBL8361267 | 0.73 | REN (0.49) | RENCTSSCTSK | |
| SCHEMBL7425885 | 0.72 | CTSD (0.44) | ACACBRENCA2 |
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 |