Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 3/20 | 0.33 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | FSCN1 | Q16658 | 1/20 | 0.31 |
| ▸ | SLC6A9 | P48067 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.30 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.30 |
| ▸ | EGLN1 | Q9GZT9 | 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 | |
|---|---|---|---|---|
| SCHEMBL4479139 | 0.92 | AKR1B1 (0.35) | TNIKAKR1B1MAPK1FSCN1KCNH2 | |
| SCHEMBL4480309 | 0.91 | TNIK (0.37) | GRIN2BTNIKGRIN1AKR1B1MAPK1 | |
| SCHEMBL6031443 | 0.85 | MEN1 (0.37) | TNIKEGLN1 | |
| SCHEMBL4477971 | 0.81 | AKR1B1 (0.40) | TNIKAKR1B1GRM2ENPP2GPR52 | |
| SCHEMBL5814580 | 0.81 | TNIK (0.33) | GRIN2BTNIKAKR1B1MAPK1EGLN1 | |
| SCHEMBL1337231 | 0.79 | MEN1 (0.42) | AKR1B1 | |
| SCHEMBL1336916 | 0.78 | MEN1 (0.42) | TNIKEGLN1 | |
| SCHEMBL1335730 | 0.78 | AKR1B1 (0.36) | TNIKAKR1B1MAPK1KCNH2GRM2 | |
| SCHEMBL4551107 | 0.76 | TNIK (0.39) | TNIKAKR1B1GRM2GPR52 | |
| SCHEMBL6032283 | 0.73 | MEN1 (0.33) | — |
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-1725556-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2006-11-29 | — | — | EP | disclosed |
| WO-2006107478-A2 | CRYSTALLINE SODIUM SALT OF AN HIV INTEGRASE INHIBITOR | MERCK & CO., INC. (US) | 2006-10-12 | — | — | WO | disclosed |
| WO-2005087768-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-09-22 | — | — | WO | disclosed |