Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.32 |
| ▸ | HMGCR | P04035 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL667627 | 0.84 | TSHR (0.35) | TSHRTP53ALDH1A1 | |
| SCHEMBL7960610 | 0.81 | HMGCR (0.46) | TSHRCYP1A2CHRM1ADRA1AHMGCR | |
| Ammonia Solution, Strong SCHEMBL8858444 | 0.79 | HMGCR (0.44) | TSHRCYP1A2CHRM1ADRA1AHMGCR | |
| Ammonia Solution, Strong SCHEMBL8858449 | 0.79 | HMGCR (0.44) | TSHRCYP1A2CHRM1ADRA1AHMGCR | |
| SCHEMBL1572639 | 0.78 | CYP1A2 (0.37) | CYP1A2CHRM1ADRA1ATP53CA2 | |
| SCHEMBL15040910 | 0.78 | CYP1A2 (0.37) | CYP1A2CHRM1ADRA1ATP53CA2 | |
| SCHEMBL10954165 | 0.76 | CYP1A2 (0.36) | TSHRCYP1A2CHRM1ADRA1ATP53 | |
| Tetramethylammonium Ion SCHEMBL8858493 | 0.76 | HMGCR (0.41) | TSHRCYP1A2CHRM1ADRA1AHMGCR | |
| SCHEMBL16331317 | 0.74 | ADRA1A (0.37) | TSHRCYP1A2CHRM1ADRA1ATP53 | |
| SCHEMBL11808185 | 0.73 | TSHR (0.33) | TSHRTP53ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101027295-A | Chemical compounds and pharmaceutical compositions containing them for the treatment of inflammatory disorders | SCHERING CORP (US) | 2007-08-29 | — | — | CN | disclosed |