Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.40 |
| ▸ | NOS1 | P29475 | 3/20 | 0.40 |
| ▸ | NOS2 | P35228 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.30 |
| ▸ | FEN1 | P39748 | 1/20 | 0.30 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | IGF1R | P08069 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6137714 | 0.91 | NOS3 (0.40) | NOS3NOS1NOS2KDM4EALDH1A1 | |
| SCHEMBL7171051 | 0.91 | NOS3 (0.39) | NOS3NOS1NOS2HRH3S1PR1 | |
| SCHEMBL6137660 | 0.82 | NOS3 (0.39) | NOS3NOS1NOS2HRH3S1PR1 | |
| SCHEMBL7145257 | 0.68 | NPC1 (0.50) | ALDH1A1HRH3PKMMEN1KMT2A | |
| SCHEMBL7148179 | 0.67 | TAAR1 (0.50) | NOS3NOS1KDM4EMEN1KMT2A | |
| SCHEMBL11385307 | 0.67 | MTNR1A (0.56) | KDM4EALDH1A1PKM | |
| SCHEMBL6137525 | 0.67 | NOS3 (0.41) | NOS3NOS1NOS2 | |
| SCHEMBL7135245 | 0.67 | ALDH1A1 (0.48) | KDM4EALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL7456281 | 0.66 | SPR (0.51) | KDM4ECYP2D6KCNH2 | |
| SCHEMBL15876078 | 0.64 | SLC7A5 (0.52) | CYP2D6KCNH2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |