Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.44 |
| ▸ | NOS1 | P29475 | 2/20 | 0.44 |
| ▸ | NOS2 | P35228 | 2/20 | 0.44 |
| ▸ | HTR7 | P34969 | 4/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.38 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6645276 | 0.87 | NOS3 (0.44) | NOS3NOS1NOS2HTR7ABCC8 | |
| SCHEMBL6137367 | 0.81 | SIRT2 (0.50) | NOS3NOS1NOS2HTR2CTP53 | |
| SCHEMBL6645803 | 0.81 | NOS3 (0.44) | NOS3NOS1NOS2TP53LRRK2 | |
| SCHEMBL6642314 | 0.81 | NOS3 (0.44) | NOS3NOS1NOS2HTR7HTR2C | |
| SCHEMBL28979237 | 0.81 | MAOA (0.38) | CYP1A2MAPT | |
| SCHEMBL6069995 | 0.81 | NOS3 (0.45) | NOS3NOS1NOS2TP53LRRK2 | |
| SCHEMBL6644248 | 0.80 | KMT2A (0.50) | NOS3NOS1NOS2KMT2AMEN1 | |
| SCHEMBL6642813 | 0.77 | NOS3 (0.48) | NOS3NOS1NOS2TP53ABCC8 | |
| SCHEMBL6641768 | 0.77 | GSK3B (0.48) | NOS3NOS1NOS2LRRK2MAPT | |
| SCHEMBL4763337 | 0.76 | IDO1 (0.45) | NOS3NOS1NOS2MAPT |
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-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 |
| EP-1054869-A1 | 3,4-DIHYDROQUINOLINE DERIVATIVES AS NITROGEN MONOXIDE SYNTHASE (NOS) INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-11-29 | — | — | EP | disclosed |
| WO-1999041240-A1 | 3,4-DIHYDROQUINOLINE DERIVATIVES AS NITROGEN MONOXIDE SYNTHASE (NOS) INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 1999-08-19 | — | — | WO | disclosed |