Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13245691 | 0.82 | CHRM1 (0.40) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL13707807 | 0.82 | CHRM1 (0.40) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL3347316 | 0.79 | CHRM1 (0.38) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL16580156 | 0.79 | MAPT (0.39) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL13788505 | 0.79 | CHRM1 (0.44) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL3682448 | 0.79 | CTSK (0.50) | CYP2D6 | |
| SCHEMBL7726457 | 0.79 | CTSK (0.50) | CYP2D6 | |
| SCHEMBL3206074 | 0.79 | CTSK (0.50) | CYP2D6 | |
| SCHEMBL13079389 | 0.78 | CHRM1 (0.43) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL17035693 | 0.78 | MAPT (0.38) | CHRM1AKR1A1CHRM3HTR2AHTR2C |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010060479-A1 | TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH CXCR4 ANTAGONIZING ACTIVITY | POLYPHOR AG (CH) | 2010-06-03 | — | — | WO | disclosed |