Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CTH | P32929 | 2/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | SCN8A | Q9UQD0 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24440652 | 0.82 | NOS3 (0.39) | CYP2D6CYP2C19CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL22239425 | 0.78 | NOS3 (0.42) | CYP2D6CYP2C19MEN1KMT2ACTH | |
| SCHEMBL24846577 | 0.78 | NOS3 (0.36) | CYP2D6CYP2C19CHRNB2CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL7283316 | 0.75 | NOS3 (0.39) | CYP2D6CYP2C19CTHNOS3NOS1 | |
| Hydrochloric Acid SCHEMBL9872395 | 0.75 | NOS3 (0.39) | CYP2D6CYP2C19CTHNOS3NOS1 | |
| SCHEMBL20091037 | 0.74 | NOS3 (0.45) | MEN1KMT2ACTHNOS3NOS1 | |
| SCHEMBL7245280 | 0.74 | NOS3 (0.45) | MEN1KMT2ACTHNOS3NOS1 | |
| SCHEMBL9000307 | 0.74 | NOS3 (0.45) | CYP2D6MEN1ALOX15KMT2ACTH | |
| SCHEMBL7245275 | 0.74 | NOS3 (0.45) | MEN1KMT2ACTHNOS3NOS1 | |
| SCHEMBL22834197 | 0.73 | NOS3 (0.41) | MEN1KMT2ACTHNOS3NOS1 |
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-1615633-A4 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC (CA) | 2008-07-09 | — | — | EP | disclosed |
| EP-1615633-A2 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC. (CA) | 2006-01-18 | — | — | EP | disclosed |
| WO-2004093817-A2 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC. (CA) | 2004-11-04 | — | — | WO | disclosed |