Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 5/20 | 0.48 |
| ▸ | MME | P08473 | 2/20 | 0.48 |
| ▸ | CPA1 | P15085 | 1/20 | 0.48 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 3/20 | 0.47 |
| ▸ | ESR1 | P03372 | 3/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CRHBP | P24387 | 1/20 | 0.46 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18973023 | 0.86 | ESR1 (0.44) | ACEMMECPA1ACE2PPARG | |
| SCHEMBL13575658 | 0.85 | PPARG (0.56) | PPARGEPHX2 | |
| SCHEMBL13575647 | 0.85 | PPARG (0.58) | ACEMMEPPARGMAPTEPHX2 | |
| SCHEMBL13575690 | 0.85 | PPARG (0.58) | ACEMMEPPARGMAPTEPHX2 | |
| SCHEMBL18973012 | 0.83 | MAPT (0.44) | ACEMMECPA1ACE2PPARG | |
| SCHEMBL17017540 | 0.81 | CYP3A4 (0.51) | ACEMMECPA1ACE2ESR1 | |
| SCHEMBL10885518 | 0.80 | SLC7A5 (0.59) | — | |
| SCHEMBL12201010 | 0.80 | SLC7A5 (0.59) | — | |
| SCHEMBL3876493 | 0.79 | CYP1A2 (0.59) | ACEMMECPA1ACE2PPARG | |
| SCHEMBL3661382 | 0.79 | CYP1A2 (0.59) | ACEMMECPA1ACE2PPARG |
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 |
|---|---|---|---|---|---|---|---|
| US-7550431-B2 | Spatially-defined macrocycles incorporating peptide bond surrogates | TRANZYME PHARMA INC. (CA) | 2009-06-23 | — | — | US | disclosed |