Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | ALDH1A3 | P47895 | 4/20 | 0.54 |
| ▸ | ALDH3A1 | P30838 | 3/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 5/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9879754 | 0.98 | ALDH1A1 (0.53) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL6843923 | 0.89 | CNR2 (0.37) | ALDH1A1ALDH1A3ALDH3A1CNR2KCNH2 | |
| SCHEMBL1825440 | 0.87 | CHKA (0.38) | CNR2KCNH2CNR1CHRM2CHRM4 | |
| SCHEMBL4003205 | 0.87 | ALDH1A1 (0.66) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL26836706 | 0.85 | ALDH1A1 (0.63) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL10438443 | 0.85 | ALDH1A3 (0.63) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL609500 | 0.85 | ALDH1A3 (0.63) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL9875023 | 0.85 | ALDH1A3 (0.63) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL9448811 | 0.85 | ALDH1A3 (0.63) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 | |
| SCHEMBL1166127 | 0.85 | ALDH1A3 (0.63) | ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0301411-B1 | FILM COMPOSED OF AT LEAST ONE MONOMOLECULAR LAYER | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-04-15 | — | — | EP | disclosed |
| EP-0301411-A1 | Film composed of at least one monomolecular layer | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-02-01 | — | — | EP | disclosed |