Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR2 | O15552 | 2/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.35 |
| ▸ | PRKACA | P17612 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 2/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | GLS | O94925 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4672521 | 0.92 | FFAR2 (0.40) | FFAR2HCAR2PTGDR2PIN1ROCK1 | |
| SCHEMBL4671777 | 0.88 | TDP1 (0.34) | PTGDR2PIN1ROCK1PRKACARAB9A | |
| SCHEMBL4676619 | 0.88 | CES1 (0.42) | FFAR2HCAR2CES1NCEH1 | |
| SCHEMBL4676616 | 0.85 | FFAR2 (0.41) | FFAR2HCAR2PTGDR2PIN1MAPK1 | |
| SCHEMBL4673451 | 0.83 | PTPN1 (0.35) | PTGDR2ROCK1PRKACAMAPK1RAB9A | |
| SCHEMBL4676763 | 0.83 | HCAR2 (0.38) | HCAR2ROCK1PRKACAMAPK1RAB9A | |
| SCHEMBL4671551 | 0.83 | CES1 (0.32) | FFAR2CES1NCEH1POLB | |
| SCHEMBL4674931 | 0.82 | FFAR2 (0.40) | FFAR2HCAR2PTGDR2PIN1CES1 | |
| SCHEMBL4677484 | 0.82 | CES1 (0.31) | CES1NCEH1MAPK8 | |
| SCHEMBL4671733 | 0.82 | PTGER4 (0.34) | PTGDR2CES1NCEH1MAPK8POLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1142872-B1 | AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES | SHIONOGI & CO (JP) | 2008-10-15 | — | — | EP | disclosed |
| US-6620841-B1 | Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) | SHIONOGI & CO., LTD. (JP) | 2003-09-16 | — | — | US | disclosed |
| CN-1335834-A | Aromatic heterocyclic compounds having HIV integrase inhibitory activity | SHIONOGI & CO (JP) | 2002-02-13 | — | — | CN | disclosed |
| EP-1142872-A1 | AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES | SHIONOGI & CO., LTD. (JP) | 2001-10-10 | — | — | EP | disclosed |