Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.37 |
| ▸ | ACE | P12821 | 2/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.34 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | NAAA | Q02083 | 2/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9775315 | 1.00 | HCAR2 (0.37) | HCAR2ACEEPHX2NPFFR1NPFFR2 | |
| SCHEMBL9775313 | 0.94 | HCAR2 (0.44) | HCAR2ACEEPHX2MAPTATM | |
| SCHEMBL9775317 | 0.94 | HCAR2 (0.44) | HCAR2ACEEPHX2MAPTATM | |
| SCHEMBL9775291 | 0.81 | NAAA (0.38) | ACEEPHX2NPFFR1NPFFR2CYP3A4 | |
| SCHEMBL9773234 | 0.78 | CHRM2 (0.36) | ACEEPHX2CYP3A4MAPTMEN1 | |
| SCHEMBL9775457 | 0.78 | ACE (0.43) | ACEEPHX2CYP3A4ALOX15MEN1 | |
| SCHEMBL15825448 | 0.77 | ACE (0.39) | ACEEPHX2NPFFR1NPFFR2CYP3A4 | |
| SCHEMBL4798155 | 0.75 | ACE (0.41) | ACECYP3A4MAPTMEN1KMT2A | |
| SCHEMBL9775281 | 0.74 | ALDH1A1 (0.46) | ACECYP3A4ALOX15MEN1KMT2A | |
| SCHEMBL9775205 | 0.73 | ACE (0.44) | ACECYP3A4ALOX15MEN1KMT2A |
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-5068242-A | PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE FOR PSYCHOTROPIC ACTION | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-11-26 | — | — | US | disclosed |