Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.50 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.50 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 2/20 | 0.41 |
| ▸ | PDE9A | O76083 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | SLC8B1 | Q6J4K2 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | CACNB4 | O00305 | 1/20 | 0.40 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27150139 | 0.83 | PGR (0.43) | SIRT2SIRT1PGRPDE9AMAPT | |
| SCHEMBL6645803 | 0.81 | NOS3 (0.44) | NOS3NOS1NOS2MAPTTP53 | |
| SCHEMBL28979237 | 0.81 | MAOA (0.38) | SIRT2SIRT1PGRMAPTCYP1A2 | |
| SCHEMBL6640591 | 0.81 | NOS3 (0.44) | NOS3NOS1NOS2MAPTTP53 | |
| SCHEMBL6069995 | 0.81 | NOS3 (0.45) | NOS3NOS1NOS2MAPTTP53 | |
| SCHEMBL6641768 | 0.77 | GSK3B (0.48) | NOS3NOS1NOS2MAPTLRRK2 | |
| SCHEMBL6644248 | 0.77 | KMT2A (0.50) | NOS3NOS1NOS2PGRMAPT | |
| SCHEMBL6642813 | 0.77 | NOS3 (0.48) | NOS3NOS1NOS2TP53ABCC8 | |
| SCHEMBL6137734 | 0.76 | IDO1 (0.45) | NOS3NOS1NOS2MAPTTSHR | |
| SCHEMBL4763337 | 0.76 | IDO1 (0.45) | NOS3NOS1NOS2MAPTTSHR |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1129077-B9 | FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS | SCHERING AG (DE) | 2005-07-20 | — | — | EP | disclosed |
| EP-1129077-B1 | FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS | SCHERING AG (DE) | 2005-04-20 | — | — | EP | disclosed |
| EP-1054869-B1 | 3,4-DIHYDROQUINOLINE DERIVATIVES AS NITROGEN MONOXIDE SYNTHASE (NOS) INHIBITORS | SCHERING AG (DE) | 2004-09-22 | — | — | EP | disclosed |
| US-6579883-B1 | Nitrogen monoxide synthases; 4-amino-8-bromo-3a-fluoro-2,3,3a,9b-tetrahydro-1H-cyclopenta (c) quinoline; neurodegenerative, autoimmune, cardiovascular diseases | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-06-17 | — | — | US | disclosed |
| US-6391887-B1 | ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; CARDIOVASCULAR DISORDERS | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-05-21 | — | — | US | disclosed |
| EP-1129077-A1 | FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 2001-09-05 | — | — | EP | disclosed |
| EP-1054869-A1 | 3,4-DIHYDROQUINOLINE DERIVATIVES AS NITROGEN MONOXIDE SYNTHASE (NOS) INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-11-29 | — | — | EP | disclosed |
| WO-2000029381-A1 | FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-05-25 | — | — | WO | disclosed |
| WO-1999041240-A1 | 3,4-DIHYDROQUINOLINE DERIVATIVES AS NITROGEN MONOXIDE SYNTHASE (NOS) INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 1999-08-19 | — | — | WO | disclosed |