Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | MTHFD2 | P13995 | 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 | |
|---|---|---|---|---|
| SCHEMBL21003182 | 0.74 | P2RX7 (0.40) | GPBAR1LMNAMAPTP2RX7DPP4 | |
| SCHEMBL21003199 | 0.74 | PDE10A (0.39) | GPBAR1LMNAMAPTP2RX7HTR2A | |
| SCHEMBL5798639 | 0.74 | GPBAR1 (0.39) | GPBAR1P2RX7TRPV1DPP4 | |
| SCHEMBL4867797 | 0.72 | LMNA (0.32) | GPBAR1LMNAMAPTP2RX7DPP4 | |
| SCHEMBL2272015 | 0.69 | HTR2A (0.40) | HTR2AHTR2CHTR2B | |
| SCHEMBL3824436 | 0.69 | P2RX7 (0.35) | P2RX7 | |
| SCHEMBL34470947 | 0.68 | MTOR (0.43) | MAPT | |
| SCHEMBL3230215 | 0.67 | P2RX7 (0.42) | P2RX7 | |
| SCHEMBL19547099 | 0.67 | P2RX7 (0.42) | P2RX7MTHFD2 | |
| SCHEMBL3116963 | 0.67 | CYP2C19 (0.41) | GPBAR1MAPTP2RX7MTHFD2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006044762-A2 | TETRAHYDRO-5H-PYRIMIDO[4,5-D]AZEPINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES ASSOCIATED WITH THE 5-HT2C RECEPTOR | BAYER PHARMACEUTICALS CORPORATION (US) | 2006-04-27 | — | — | WO | disclosed |