Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.56 |
| ▸ | MARS1 | P56192 | 1/20 | 0.54 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.51 |
| ▸ | GSK3A | P49840 | 2/20 | 0.50 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.50 |
| ▸ | ADK | P55263 | 1/20 | 0.49 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.47 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.47 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | PI4KA | P42356 | 1/20 | 0.47 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.47 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.47 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.47 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.47 |
| ▸ | SRC | P12931 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9836401 | 1.00 | EGFR (0.56) | EGFRMARS1ABCB1GSK3ARPS6KA3 | |
| SCHEMBL10836169 | 0.84 | EGFR (0.56) | EGFRABCB1GSK3ARPS6KA3MAPK14 | |
| SCHEMBL9837800 | 0.82 | HDAC1 (0.46) | — | |
| SCHEMBL9837796 | 0.82 | HDAC1 (0.46) | — | |
| SCHEMBL11644877 | 0.79 | ABCB1 (0.77) | ABCB1GSK3ARPS6KA3MAPK14ADORA2A | |
| SCHEMBL441535 | 0.79 | ABCB1 (0.77) | ABCB1GSK3ARPS6KA3MAPK14ADORA2A | |
| SCHEMBL9836909 | 0.78 | EGFR (0.54) | EGFRADORA2API4KAPI4K2BPI4K2A | |
| SCHEMBL25101074 | 0.78 | ABCB1 (0.60) | ABCB1GSK3ARPS6KA3MAPK14P2RX3 | |
| SCHEMBL12352429 | 0.78 | P2RX3 (0.75) | ABCB1GSK3ARPS6KA3MAPK14P2RX3 | |
| SCHEMBL9189337 | 0.78 | P2RX3 (0.75) | ABCB1GSK3ARPS6KA3MAPK14P2RX3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0159264-B1 | ANTIVIRAL COMPOUNDS | MERCK & CO. INC. (US) | 1991-07-24 | — | — | EP | disclosed |
| US-4617304-A | VIRICIDE; HERPES | MERCK & CO., INC. (US) | 1986-10-14 | — | — | US | disclosed |
| EP-0159264-A2 | Antiviral compounds | MERCK & CO. INC. (US) | 1985-10-23 | — | — | EP | disclosed |