Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10137807 | 0.82 | CA2 (0.50) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL1704638 | 0.80 | CAMK2A (0.43) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| 1,3-Propanediol SCHEMBL28283379 | 0.75 | CAMK2A (0.43) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| 1,4-Butanediol SCHEMBL28822648 | 0.75 | GPR84 (0.46) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL12537116 | 0.74 | CYP1A2 (0.56) | CYP1A2 | |
| SCHEMBL1859719 | 0.73 | — | — | |
| SCHEMBL23622003 | 0.73 | GABRP (0.38) | TDP1CYP1A2TP53 | |
| SCHEMBL11357862 | 0.73 | ALDH1A1 (0.38) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| 1,6-Hexanediol SCHEMBL8420383 | 0.72 | GPR84 (0.50) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL14685869 | 0.72 | GPR84 (0.43) | 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 |
|---|---|---|---|---|---|---|---|
| US-7202234-B2 | Compounds and methods for treating Toll-like receptor 2-related diseases and conditions | EISAI CO., LTD. (JP) | 2007-04-10 | — | — | US | disclosed |