Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.34 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10944970 | 0.84 | CD44 (0.44) | CD44CYP3A4ALDH1A1TSHRTP53 | |
| SCHEMBL6352273 | 0.82 | ALDH1A1 (0.48) | CD44CYP3A4ALDH1A1TSHRTP53 | |
| SCHEMBL11843163 | 0.79 | CD44 (0.44) | CD44CYP3A4ALDH1A1TSHRTP53 | |
| SCHEMBL29674841 | 0.75 | CYP3A4 (0.50) | CYP3A4ALDH1A1TSHRTDP1GAA | |
| SCHEMBL10620711 | 0.74 | ALDH1A1 (0.45) | CD44CYP3A4ALDH1A1TSHRTP53 | |
| SCHEMBL1639902 | 0.74 | CYP3A4 (0.56) | CYP3A4ALDH1A1TSHRTP53CYP1A2 | |
| SCHEMBL8321419 | 0.72 | GAA (0.53) | CD44CYP3A4ALDH1A1TSHRTP53 | |
| SCHEMBL30420511 | 0.72 | KDM4E (0.44) | CD44CYP3A4ALDH1A1TSHRTP53 | |
| SCHEMBL23213487 | 0.72 | ALDH1A1 (0.59) | CD44CYP3A4ALDH1A1TSHRTP53 | |
| SCHEMBL11055289 | 0.72 | CD44 (0.48) | CD44CYP3A4ALDH1A1TSHRTP53 |
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-4426538-A | Process for the preparation of optionally p-chlorine-substituted 2,6-diaminotoluene | BAYER AKTIENGESELLSCHAFT (DE) | 1984-01-17 | — | — | US | disclosed |