Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.33 |
| ▸ | CASP6 | P55212 | 2/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 5/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.30 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.30 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.30 |
| ▸ | PDE2A | O00408 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL12646546 | 0.86 | P2RX7 (0.34) | P2RX7GAAPDE2AMEN1KMT2A | |
| SCHEMBL51809 | 0.85 | MAPK14 (0.33) | ATRP2RX7MAPK1GABRG2GABRB3 | |
| Hydrochloric Acid SCHEMBL2529209 | 0.83 | MAPK14 (0.33) | ATRP2RX7GABRG2GABRB3GABRA5 | |
| Hydrochloric Acid SCHEMBL2076893 | 0.83 | MAPK14 (0.33) | ATRP2RX7GABRG2GABRB3GABRA5 | |
| SCHEMBL12238979 | 0.74 | GABRG2 (0.34) | ATRGAAMAPK1GABRG2GABRB3 | |
| SCHEMBL2525793 | 0.74 | MBOAT4 (0.34) | ATRGAAMAPK1GABRG2GABRB3 | |
| SCHEMBL13647699 | 0.74 | HCRTR1 (0.33) | CASP6P2RX7 | |
| SCHEMBL12693213 | 0.73 | NPC1 (0.46) | MAPK1GABRG2GABRB3GABRA5 | |
| SCHEMBL2076032 | 0.71 | EGLN2 (0.40) | GAAMEN1KMT2A | |
| SCHEMBL12215789 | 0.69 | KDM5A (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1745052-B1 | HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2008-08-20 | — | — | EP | disclosed |