Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 4/20 | 0.36 |
| ▸ | PRKCA | P17252 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ACE | P12821 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 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 | |
|---|---|---|---|---|
| SCHEMBL9775317 | 1.00 | HCAR2 (0.44) | HCAR2ATMAPPPRKCAHTT | |
| SCHEMBL9775321 | 0.94 | HCAR2 (0.37) | HCAR2ATMACEMAPTEPHX2 | |
| SCHEMBL9775315 | 0.94 | HCAR2 (0.37) | HCAR2ATMACEMAPTEPHX2 | |
| SCHEMBL9775291 | 0.83 | NAAA (0.38) | ACEEPHX2CHRM2CHRM4CHRM5 | |
| SCHEMBL9773234 | 0.79 | CHRM2 (0.36) | ACEMAPTEPHX2CHRM2CHRM4 | |
| SCHEMBL9775457 | 0.79 | ACE (0.43) | ACEEPHX2CHRM2CHRM4CHRM5 | |
| SCHEMBL15825448 | 0.79 | ACE (0.39) | SMN1; SMN2ACEMAPTEPHX2CHRM2 | |
| SCHEMBL4798155 | 0.77 | ACE (0.41) | SMN1; SMN2ACEMAPT | |
| SCHEMBL9775281 | 0.76 | ALDH1A1 (0.46) | ACECHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL12943332 | 0.74 | CHRM2 (0.37) | SMN1; SMN2ACEMAPTCHRM2CHRM1 |
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 |