Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FPR2 | P25090 | 1/20 | 0.46 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MME | P08473 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ACE | P12821 | 1/20 | 0.33 |
| ▸ | CPA1 | P15085 | 1/20 | 0.33 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL805214 | 0.87 | FPR2 (0.56) | FPR2PPARGMMELMNAACE | |
| SCHEMBL25101017 | 0.84 | FPR2 (0.44) | FPR2NOS3NOS1NOS2ESR1 | |
| SCHEMBL8231892 | 0.81 | ESR1 (0.56) | ESR1ESR2MMEACECPA1 | |
| SCHEMBL16327905 | 0.81 | ESR1 (0.40) | NOS3NOS1ESR1ESR2PPARG | |
| SCHEMBL12668874 | 0.81 | ACACB (0.46) | ESR1ESR2PPARGALDH1A1 | |
| SCHEMBL9886030 | 0.81 | ACACB (0.46) | ESR1ESR2PPARGALDH1A1 | |
| SCHEMBL14942927 | 0.81 | ESR1 (0.56) | ESR1ESR2MMEACECPA1 | |
| SCHEMBL7637685 | 0.81 | ESR1 (0.56) | ESR1ESR2MMEACECPA1 | |
| SCHEMBL24329157 | 0.79 | ACACB (0.48) | FPR2MMEEPHX1CTSSCTSK | |
| SCHEMBL12668867 | 0.79 | ACACB (0.48) | FPR2MMEEPHX1CTSSCTSK |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2316846-B1 | Spatially-defined macrocyclic compounds useful for drug discovery | OCERA THERAPEUTICS INC (US) | 2019-10-02 | — | — | EP | disclosed |