Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PLG | P00747 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | PLAT | P00750 | 1/20 | 0.39 |
| ▸ | KLK1 | P06870 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1904233 | 0.79 | CYP1A2 (0.55) | ALDH1A1TSHRCYP3A4CYP1A2MEN1 | |
| SCHEMBL13759882 | 0.76 | ALDH1A1 (0.48) | ALDH1A1TSHRCYP3A4CYP1A2MEN1 | |
| SCHEMBL526122 | 0.76 | ALDH1A1 (0.48) | ALDH1A1TSHRCYP3A4CYP1A2MEN1 | |
| Vinyl Chloride SCHEMBL11432622 | 0.75 | CYP1A2 (0.50) | ALDH1A1TSHRCYP3A4CYP1A2MAOB | |
| SCHEMBL27959238 | 0.75 | CYP1A2 (0.53) | ALDH1A1TSHRCYP1A2MAOBCYP2C19 | |
| Styrene SCHEMBL28271769 | 0.73 | ALDH1A1 (0.70) | ALDH1A1TSHRPLGPLAUPLAT | |
| SCHEMBL11075392 | 0.72 | HTR2A (0.42) | ALDH1A1TSHRCYP3A4CYP1A2MEN1 | |
| SCHEMBL5958250 | 0.71 | CYP3A4 (0.48) | ALDH1A1TSHRCYP3A4CYP1A2MEN1 | |
| SCHEMBL14390009 | 0.71 | CYP1A2 (0.48) | ALDH1A1CYP3A4CYP1A2MAOBCYP19A1 | |
| SCHEMBL27584155 | 0.71 | CYP1A2 (0.48) | ALDH1A1CYP3A4CYP1A2MAOBCYP19A1 |
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-20100036188-A1 | MOLECULARLY IMPRINTED POLYMER, PROCESS FOR PRODUCTION THEREOF AND PROCESS FOR THE SELECTIVE TREATMENT OF POORLY DEGRADABLE AND/OR TOXIC COMPOUNDS IN LIQUIDS | KIST-EUROPE FORSCHUNGSGESELLSCHAFT MBH (DE) | 2010-02-11 | — | — | US | disclosed |