Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.38 |
| ▸ | HTR7 | P34969 | 3/20 | 0.38 |
| ▸ | HTR1D | P28221 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HTR2B | P41595 | 2/20 | 0.38 |
| ▸ | HTR6 | P50406 | 2/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | SMO | Q99835 | 2/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.35 |
| ▸ | KISS1R | Q969F8 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5228536 | 0.90 | EGFR (0.38) | HTR6DHODHMEN1KMT2AALDH1A1 | |
| SCHEMBL5226613 | 0.89 | SMO (0.40) | SMODHODHMEN1KMT2AKISS1R | |
| SCHEMBL5224673 | 0.89 | SMO (0.40) | HTR6SMODHODHKISS1RALDH1A1 | |
| SCHEMBL5229287 | 0.87 | EGFR (0.40) | SMODHODHMEN1KMT2AALDH1A1 | |
| SCHEMBL5226838 | 0.85 | ALDH1A1 (0.41) | CHRM3MEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL5226986 | 0.85 | DRD4 (0.39) | SMOALDH1A1KDM4ELMNAALPL | |
| SCHEMBL5227547 | 0.84 | PDCD1 (0.43) | CHRM3ALDH1A1KDM4ELMNAACVR1 | |
| SCHEMBL5228047 | 0.84 | HTR2C (0.37) | HTR2CDHODHALDH1A1KDM4EROCK2 | |
| SCHEMBL2004259 | 0.83 | HTR1A (0.35) | HTR1AHTR7HTR2BHTR6SMO | |
| SCHEMBL5230456 | 0.83 | SMO (0.46) | HTR1AHTR7HTR2BHTR6HTR1B |
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-1611122-B1 | SUBSTITUTED PYRAZOLE COMPOUNDS | MERCK PATENT GMBH (DE) | 2007-06-13 | — | — | EP | disclosed |