Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.40 |
| ▸ | NOS1 | P29475 | 3/20 | 0.40 |
| ▸ | NOS2 | P35228 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.31 |
| ▸ | VSIR | Q9H7M9 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL7181785 | 0.91 | NOS3 (0.40) | NOS3NOS1NOS2ALDH1A1KDM4E | |
| SCHEMBL6137660 | 0.91 | NOS3 (0.39) | NOS3NOS1NOS2HRH3S1PR1 | |
| SCHEMBL7171051 | 0.82 | NOS3 (0.39) | NOS3NOS1NOS2HRH3S1PR1 | |
| SCHEMBL6137525 | 0.77 | NOS3 (0.41) | NOS3NOS1NOS2 | |
| SCHEMBL7171088 | 0.69 | HTT (0.37) | NOS3NOS1NOS2HSD17B10 | |
| SCHEMBL7145257 | 0.68 | NPC1 (0.50) | ALDH1A1HRH3HPGDMEN1KMT2A | |
| SCHEMBL11385307 | 0.67 | MTNR1A (0.56) | ALDH1A1KDM4EPKM | |
| SCHEMBL7148179 | 0.67 | TAAR1 (0.50) | NOS3NOS1KDM4EMEN1KMT2A | |
| SCHEMBL7135245 | 0.67 | ALDH1A1 (0.48) | ALDH1A1KDM4EHPGDKMT2A | |
| SCHEMBL7456281 | 0.66 | SPR (0.51) | KDM4ECYP2D6VSIRKCNH2 |
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 3 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 |
| 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 |