Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22907690 | 0.79 | IDO1 (0.47) | IDO1GSK3BALDH1A1PARP1BRPF1 | |
| SCHEMBL19696036 | 0.79 | IDO1 (0.47) | IDO1GSK3BALDH1A1PARP1BRPF1 | |
| SCHEMBL2764856 | 0.79 | IDO1 (0.47) | IDO1GSK3BALDH1A1PARP1BRPF1 | |
| SCHEMBL30839791 | 0.79 | IDO1 (0.47) | IDO1GSK3BALDH1A1PARP1BRPF1 | |
| SCHEMBL19985146 | 0.79 | IDO1 (0.47) | IDO1GSK3BALDH1A1PARP1BRPF1 | |
| SCHEMBL23264408 | 0.79 | IDO1 (0.47) | IDO1GSK3BALDH1A1PARP1BRPF1 | |
| SCHEMBL7927054 | 0.76 | IDO1 (0.45) | IDO1NOS1GSK3BALDH1A1PARP1 | |
| SCHEMBL6137734 | 0.76 | IDO1 (0.45) | IDO1NOS3NOS1NOS2GSK3B | |
| SCHEMBL4761869 | 0.76 | IDO1 (0.45) | IDO1NOS3NOS1NOS2GSK3B | |
| SCHEMBL7252422 | 0.76 | IDO1 (0.45) | IDO1NOS1GSK3BALDH1A1PARP1 |
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-1054869-B1 | 3,4-DIHYDROQUINOLINE DERIVATIVES AS NITROGEN MONOXIDE SYNTHASE (NOS) INHIBITORS | SCHERING AG (DE) | 2004-09-22 | — | — | EP | disclosed |
| US-6391887-B1 | ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; CARDIOVASCULAR DISORDERS | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-05-21 | — | — | US | disclosed |