Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | PYGL | P06737 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TACR3 | P29371 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Methane SCHEMBL11684216 | 0.89 | CYP2C19 (0.46) | ALOX5CYP2C19CYP3A4CYP2C9TSHR | |
| Hydrochloric Acid SCHEMBL9779529 | 0.87 | CYP2C19 (0.45) | ALOX5CYP2C19CYP3A4CYP2C9TSHR | |
| SCHEMBL11288569 | 0.84 | ALOX5 (0.43) | ALOX5CYP2C19CYP3A4CYP2C9TSHR | |
| SCHEMBL10674815 | 0.84 | ALOX5 (0.43) | ALOX5CYP2C19CYP3A4CYP2C9TSHR | |
| SCHEMBL11666102 | 0.84 | PYGL (0.40) | ALOX5CYP2C19CYP3A4CYP2C9TSHR | |
| SCHEMBL10678094 | 0.81 | PYGL (0.43) | ALOX5CYP2C19CYP3A4CYP2C9TSHR | |
| SCHEMBL11621949 | 0.80 | PYGL (0.41) | ALOX5CYP2C19CYP3A4CYP2C9TSHR | |
| SCHEMBL10493058 | 0.80 | ALOX5 (0.45) | ALOX5CYP2C19CYP3A4CYP2C9TSHR | |
| SCHEMBL11662979 | 0.80 | SMN1; SMN2 (0.47) | CYP2C19CYP3A4CYP2C9TSHRCYP2D6 | |
| SCHEMBL11534783 | 0.80 | ALOX5 (0.44) | ALOX5CYP2C19CYP3A4CYP2C9TSHR |
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-2007117180-A1 | AZAHETEROCYCLES, COMBINATORY LIBRARY, FOCUSED LIBRARY, PHARMACEUTICAL COMPOSITION AND METHODS FOR THE PRODUCTION THEREOF | 'CHEMICAL DIVERSITY RESEARCH INSTITUTE' LTD. (RU) | 2007-10-18 | — | — | WO | disclosed |