Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.31 |
| ▸ | FSCN1 | Q16658 | 1/20 | 0.31 |
| ▸ | WDR5 | P61964 | 1/20 | 0.31 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.31 |
| ▸ | CENPE | Q02224 | 2/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | GRM2 | Q14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL4489874 | 0.92 | AKR1B1 (0.35) | AKR1B1MAPK1FSCN1HDAC1HDAC6 | |
| SCHEMBL4483837 | 0.91 | AKR1B1 (0.36) | AKR1B1MAPK1FSCN1WDR5PIK3CB | |
| SCHEMBL4489034 | 0.91 | AKR1B1 (0.38) | AKR1B1MAPK1HDAC1HDAC6HTR2A | |
| SCHEMBL4484064 | 0.89 | KCNH2 (0.40) | AKR1B1MAPK1PIK3CB | |
| SCHEMBL4501801 | 0.89 | AKR1B1 (0.35) | AKR1B1MAPK1FSCN1 | |
| SCHEMBL4490977 | 0.88 | AKR1B1 (0.42) | AKR1B1WDR5CENPE | |
| SCHEMBL4491730 | 0.88 | PIK3CB (0.36) | AKR1B1MAPK1P2RX3PIK3CB | |
| SCHEMBL4495729 | 0.88 | AKR1B1 (0.38) | AKR1B1FSCN1 | |
| SCHEMBL31060990 | 0.87 | AKR1B1 (0.36) | AKR1B1MAPK1FSCN1WDR5PIK3CB | |
| SCHEMBL4479511 | 0.87 | AKR1B1 (0.36) | AKR1B1MAPK1FSCN1WDR5PIK3CB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1725556-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2006-11-29 | — | — | EP | claimed |
| WO-2005087768-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-09-22 | — | — | WO | claimed |