Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | MC4R | P32245 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8526317 | 1.00 | HTR2A (0.35) | HTR2AHRH1MAPTHTTNPSR1 | |
| SCHEMBL9199405 | 1.00 | HTR2A (0.35) | HTR2AHRH1MAPTHTTNPSR1 | |
| SCHEMBL9199436 | 1.00 | HTR2A (0.35) | HTR2AHRH1MAPTHTTNPSR1 | |
| SCHEMBL8526214 | 0.93 | HTR2A (0.35) | HTR2AHRH1MAPTHTTNPSR1 | |
| SCHEMBL8586103 | 0.88 | HTR2A (0.35) | HTR2AHRH1MAPTHTTNPSR1 | |
| SCHEMBL8112170 | 0.74 | CNR1 (0.35) | HTR2AHRH1MAPTHTTNPSR1 | |
| SCHEMBL8526423 | 0.74 | SLC1A3 (0.39) | MAPTNPSR1MC4RALDH1A1KDM4E | |
| SCHEMBL8120680 | 0.74 | CNR1 (0.36) | HTR2AHRH1CNR1CNR2 | |
| SCHEMBL8525693 | 0.73 | CPB2 (0.30) | — | |
| Trifluoroacetic Acid SCHEMBL9272122 | 0.72 | HTR2A (0.33) | HTR2AHRH1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0680469-A1 | AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME | Dr. Karl Thomae GmbH (DE) | 1995-11-08 | — | — | EP | disclosed |
| WO-1994017035-A1 | AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME | DR. KARL THOMAE GMBH (DE) | 1994-08-04 | — | — | WO | disclosed |