Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | PLA2G7 | Q13093 | 2/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13909095 | 0.72 | CYP1A2 (0.52) | — | |
| SCHEMBL27838713 | 0.70 | HCAR2 (0.39) | HCAR2 | |
| SCHEMBL27792519 | 0.70 | KDM4E (0.39) | — | |
| SCHEMBL27765012 | 0.70 | HTT (0.41) | HCAR2 | |
| Hydrochloric Acid SCHEMBL27577369 | 0.70 | CYP1A2 (0.50) | — | |
| SCHEMBL25236225 | 0.70 | CYP2A6 (0.38) | — | |
| SCHEMBL27238079 | 0.70 | POLB (0.40) | — | |
| SCHEMBL28233280 | 0.70 | — | — | |
| SCHEMBL27911693 | 0.70 | TYRO3 (0.31) | — | |
| SCHEMBL456193 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104203925-A | 5-aminopyrimidine derivatives and use thereof for combating undesired plant growth | BAYER IP GMBH | 2014-12-10 | — | — | CN | disclosed |
| CN-102947289-B | Arylethynyl derivatives | HOFFMANN LA ROCHE | 2014-06-11 | — | — | CN | disclosed |