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 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.41 |
| ▸ | GRIK1 | P39086 | 3/20 | 0.41 |
| ▸ | GRIK2 | Q13002 | 3/20 | 0.41 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8903535 | 0.82 | SLC1A3 (0.36) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL5391000 | 0.81 | — | — | |
| SCHEMBL13741451 | 0.76 | CHRM1 (0.44) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL29245615 | 0.75 | SLC1A2 (0.36) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL11775378 | 0.74 | CHRM1 (0.42) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL29245591 | 0.74 | SLC1A3 (0.35) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL10789484 | 0.73 | TDP1 (0.41) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL29245566 | 0.73 | NOS3 (0.35) | ADRA1AMETAP1NOS1NOS2 | |
| SCHEMBL4955499 | 0.71 | ALDH1A1 (0.41) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL15321467 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2300456-A1 | BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR | Allergan, Inc. (US) | 2011-03-30 | — | — | EP | disclosed |
| WO-2009143058-A1 | BICYCLIC COMPOUNDS HAVING ACTIVITY AT THE CXCR4 RECEPTOR | ALLERGAN, INC. (US) | 2009-11-26 | — | — | WO | disclosed |