Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.46 |
| ▸ | PLAU | P00749 | 1/20 | 0.46 |
| ▸ | PLAT | P00750 | 1/20 | 0.46 |
| ▸ | P2RX7 | Q99572 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL4972042 | 0.90 | P2RX7 (0.54) | P2RX7ALDH1A1CTSKLMNA | |
| SCHEMBL3948746 | 0.90 | P2RX7 (0.54) | P2RX7ALDH1A1CTSKLMNA | |
| SCHEMBL11787878 | 0.83 | PLAU (0.41) | CA1CA2PLAUPLATP2RX7 | |
| SCHEMBL11787867 | 0.83 | PLAU (0.41) | CA1CA2PLAUPLATP2RX7 | |
| SCHEMBL3957822 | 0.82 | P2RX7 (0.54) | P2RX7CTSKLMNACASP1 | |
| SCHEMBL28450226 | 0.81 | P2RX7 (0.50) | CA1P2RX7CTSKLMNACASP1 | |
| SCHEMBL3652008 | 0.79 | P2RX7 (0.51) | CA1CA2MAPTP2RX7CTSK | |
| SCHEMBL22552853 | 0.79 | P2RX7 (0.51) | CA1CA2MAPTP2RX7CTSK | |
| SCHEMBL3652010 | 0.79 | P2RX7 (0.51) | CA1CA2MAPTP2RX7CTSK | |
| SCHEMBL330432 | 0.79 | ATM (0.59) | CYP3A4TSHRALDH1A1CTSKATM |
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-1996027370-A1 | FREE RADICAL SCAVENGER MOLECULES | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1996-09-12 | — | — | WO | claimed |
| WO-1996027370-A1 | FREE RADICAL SCAVENGER MOLECULES | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1996-09-12 | — | — | WO | disclosed |