Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 7/20 | 0.42 |
| ▸ | SRC | P12931 | 3/20 | 0.40 |
| ▸ | HTR5A | P47898 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 3/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HK1 | P19367 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6645884 | 0.96 | EGFR (0.42) | EGFRSRCHTR5ANOS1NOS3 | |
| SCHEMBL4763337 | 0.78 | IDO1 (0.45) | HTR5ANOS1NOS3NOS2ALDH1A1 | |
| SCHEMBL6137734 | 0.78 | IDO1 (0.45) | HTR5ANOS1NOS3NOS2ALDH1A1 | |
| SCHEMBL4761869 | 0.78 | IDO1 (0.45) | HTR5ANOS1NOS3NOS2ALDH1A1 | |
| SCHEMBL6642318 | 0.76 | NOS3 (0.44) | NOS1NOS3NOS2MEN1KMT2A | |
| SCHEMBL6639911 | 0.76 | NOS3 (0.45) | NOS1NOS3NOS2MEN1KMT2A | |
| SCHEMBL6642314 | 0.76 | NOS3 (0.44) | HTR5ANOS1NOS3NOS2MEN1 | |
| SCHEMBL6642761 | 0.76 | NOS3 (0.44) | HTR5ANOS1NOS3NOS2ALDH1A1 | |
| SCHEMBL6642389 | 0.76 | NOS3 (0.44) | HTR5ANOS1NOS3NOS2MEN1 | |
| SCHEMBL7252422 | 0.74 | IDO1 (0.45) | NOS1ALDH1A1MEN1KMT2ATSHR |
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 |