Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GGPS1 | O95749 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | PLA2G4B | P0C869 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.49 |
| ▸ | PPARA | Q07869 | 1/20 | 0.49 |
| ▸ | DHFR | P00374 | 4/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6998884 | 0.99 | GGPS1 (0.53) | GGPS1TSHRPLA2G4BCYP2D6KCNH2 | |
| SCHEMBL6994874 | 0.94 | CYP2D6 (0.50) | GGPS1PLA2G4BCYP2D6KCNH2DHFR | |
| SCHEMBL7003296 | 0.90 | KMT2A (0.49) | GGPS1TSHRCYP2D6KCNH2DHFR | |
| SCHEMBL6667797 | 0.83 | CHRM2 (0.55) | CYP2D6DHFR | |
| SCHEMBL5543442 | 0.83 | BCHE (0.50) | — | |
| SCHEMBL27615194 | 0.82 | NR5A1 (0.57) | TSHRPLA2G4B | |
| SCHEMBL168261 | 0.82 | NR5A1 (0.57) | TSHRPLA2G4B | |
| SCHEMBL5545618 | 0.81 | BCHE (0.51) | — | |
| SCHEMBL8903023 | 0.81 | TSHR (0.58) | GGPS1TSHRPLA2G4BCYP2D6SMPD1 | |
| SCHEMBL27351275 | 0.80 | GGPS1 (0.63) | GGPS1TSHRPLA2G4BCYP2D6SMPD1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1081149-B1 | PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES | OTSUKA PHARMA CO LTD (JP) | 2003-04-02 | — | — | EP | disclosed |
| US-6372749-B1 | PHARMACOLOGICAL EFFECTS SUCH AS ANALGESIC ACTION, INHIBITORY EFFECT ON NITROGEN MONOXIDE SYNTHETASE AND THE LIKE AND ARE USEFUL AS ANALGESICS. | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2002-04-16 | — | — | US | disclosed |
| EP-1081149-A1 | PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2001-03-07 | — | — | EP | disclosed |