Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 5/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.46 |
| ▸ | PI4KA | P42356 | 3/20 | 0.46 |
| ▸ | PI4K2B | Q8TCG2 | 3/20 | 0.46 |
| ▸ | PI4K2A | Q9BTU6 | 3/20 | 0.46 |
| ▸ | PI4KB | Q9UBF8 | 3/20 | 0.46 |
| ▸ | KDR | P35968 | 3/20 | 0.45 |
| ▸ | SRC | P12931 | 1/20 | 0.45 |
| ▸ | STING1 | Q86WV6 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | BRAF | P15056 | 1/20 | 0.41 |
| ▸ | TEK | Q02763 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.40 |
| ▸ | FLT4 | P35916 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | AHCY | P23526 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9836889 | 0.83 | HDAC1 (0.44) | — | |
| SCHEMBL10836169 | 0.80 | EGFR (0.56) | EGFRADORA2API4KAPI4K2BPI4K2A | |
| SCHEMBL9836401 | 0.78 | EGFR (0.56) | EGFRADORA2API4KAPI4K2BPI4K2A | |
| SCHEMBL9836404 | 0.78 | EGFR (0.56) | EGFRADORA2API4KAPI4K2BPI4K2A | |
| SCHEMBL9838255 | 0.77 | ADORA2A (0.56) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL4094131 | 0.75 | EGFR (0.64) | EGFRADORA2API4KAPI4K2BPI4K2A | |
| SCHEMBL9396768 | 0.75 | EGFR (0.40) | EGFRADORA2AKDRSRCSTING1 | |
| SCHEMBL9257397 | 0.74 | HDAC1 (0.43) | — | |
| SCHEMBL9396785 | 0.70 | MGMT (0.44) | ADORA2AALDH1A1ADORA1 | |
| SCHEMBL8907404 | 0.70 | EGFR (0.49) | EGFRADORA2API4KAPI4K2BPI4K2A |
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 |