Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.53 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30481998 | 0.86 | SCN8A (0.55) | CYP1A2ALDH1A1CYP2C19SCN8ACHRM2 | |
| SCHEMBL1392847 | 0.80 | CHRM2 (0.70) | CYP1A2ALDH1A1CYP2C19HRH3CYP2D6 | |
| SCHEMBL2082460 | 0.80 | NOS3 (0.45) | SCN8AKDM4ENPC1RAB9A | |
| SCHEMBL1921574 | 0.78 | HRH3 (0.70) | CYP1A2ALDH1A1CYP2C19HRH3CYP2D6 | |
| SCHEMBL4620705 | 0.78 | SCN8A (0.42) | ALDH1A1SCN8ACHRM2 | |
| SCHEMBL2854302 | 0.77 | CYP1A2 (0.56) | CYP1A2ALDH1A1CYP2C19HRH3CYP2D6 | |
| SCHEMBL23428554 | 0.76 | SCN8A (0.44) | HRH3SCN8ACHRM2NPC1 | |
| 2-Pyridinecarboxaldehyde SCHEMBL25378590 | 0.76 | SCN8A (0.46) | CYP1A2CYP2C19SCN8ACHRM2KDM4E | |
| SCHEMBL23053146 | 0.76 | CYP1A2 (0.69) | CYP1A2ALDH1A1CYP2C19HRH3CYP2D6 | |
| SCHEMBL17591665 | 0.76 | ALOX15 (0.46) | CYP1A2ALDH1A1CYP2C19HRH3CYP2D6 |
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-1613613-A4 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC (CA) | 2009-03-25 | — | — | EP | disclosed |
| EP-1613613-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2006-01-11 | — | — | EP | disclosed |
| WO-2004091518-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2004-10-28 | — | — | WO | disclosed |