Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | PRKAB2 | O43741 | 6/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27601675 | 0.90 | HTR1D (0.39) | HTR1DHTR1BMTNR1AMTNR1BMEN1 | |
| SCHEMBL27800463 | 0.86 | HTR1D (0.40) | HTR1DHTR1BMTNR1AMTNR1BHTR2B | |
| SCHEMBL27601684 | 0.80 | HTR1D (0.37) | HTR1DHTR1BMTNR1AMTNR1BMEN1 | |
| SCHEMBL27800471 | 0.79 | HTR1D (0.35) | HTR1DHTR1BCYP3A4LMNAHIF1A | |
| SCHEMBL27584069 | 0.78 | HTR1D (0.39) | HTR1DHTR1BMTNR1AMTNR1BHTR2B | |
| SCHEMBL27596759 | 0.78 | HTR1D (0.46) | HTR1DHTR1BELANESLC22A6 | |
| SCHEMBL27800472 | 0.76 | HTR1D (0.40) | HTR1DHTR1BMTNR1AMTNR1BCYP3A4 | |
| SCHEMBL28785936 | 0.76 | HTR1D (0.33) | HTR1DHTR1BCYP3A4LMNAHIF1A | |
| SCHEMBL27800464 | 0.73 | ALDH1A1 (0.41) | HTR1DHTR1BMTNR1AMTNR1BMEN1 | |
| SCHEMBL27591784 | 0.73 | NR4A2 (0.52) | HTR1DHTR1BSLC6A4ELANESLC22A6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101691370-A | Triazolo[4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists | VERNALIS RES LTD | 2010-04-07 | — | — | CN | disclosed |