Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 8/20 | 0.46 |
| ▸ | TAS1R1 | Q7RTX1 | 8/20 | 0.46 |
| ▸ | ELANE | P08246 | 6/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | NPR3 | P17342 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6509030 | 1.00 | TAS1R3 (0.46) | TAS1R3TAS1R1ELANECYP2C9NPR3 | |
| SCHEMBL6515272 | 0.81 | TAS1R3 (0.42) | TAS1R3TAS1R1ELANE | |
| SCHEMBL6515278 | 0.81 | TAS1R3 (0.42) | TAS1R3TAS1R1ELANE | |
| SCHEMBL6517775 | 0.76 | MAPT (0.40) | TAS1R3TAS1R1ELANECYP2C9NPR3 | |
| SCHEMBL6517769 | 0.76 | MAPT (0.40) | TAS1R3TAS1R1ELANECYP2C9NPR3 | |
| SCHEMBL6508225 | 0.73 | NPR3 (0.60) | TAS1R3TAS1R1ELANECYP2C9NPR3 | |
| SCHEMBL4701355 | 0.73 | NPR3 (0.47) | TAS1R3TAS1R1ELANECYP2C9NPR3 | |
| SCHEMBL6508232 | 0.73 | NPR3 (0.60) | TAS1R3TAS1R1ELANECYP2C9NPR3 | |
| SCHEMBL2072106 | 0.72 | NTSR1 (0.47) | TAS1R3TAS1R1ELANE | |
| SCHEMBL6512154 | 0.72 | TAS1R3 (0.43) | TAS1R3TAS1R1ELANE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005003103-A2 | 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES | ASTRAZENECA AB (SE) | 2005-01-13 | — | — | WO | disclosed |
| WO-2005003103-A2 | 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES | ASTRAZENECA AB (SE) | 2005-01-13 | — | — | WO | disclosed |