Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HTR1A | P08908 | 4/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.39 |
| ▸ | NQO1 | P15559 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 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 | |
|---|---|---|---|---|
| SCHEMBL10685745 | 1.00 | ALDH1A1 (0.47) | ALDH1A1HTR1AADRA1DADRA1ACHRM2 | |
| SCHEMBL10687793 | 0.99 | ALDH1A1 (0.50) | ALDH1A1HTR1AADRA1DADRA1ACHRM2 | |
| SCHEMBL10691301 | 0.99 | ALDH1A1 (0.50) | ALDH1A1HTR1AADRA1DADRA1ACHRM2 | |
| SCHEMBL10691313 | 0.99 | ALDH1A1 (0.50) | ALDH1A1HTR1AADRA1DADRA1ACHRM2 | |
| SCHEMBL10687795 | 0.99 | ALDH1A1 (0.50) | ALDH1A1HTR1AADRA1DADRA1ACHRM2 | |
| SCHEMBL10687002 | 0.93 | ALDH1A1 (0.49) | ALDH1A1HTR1AADRA1DADRA1ACHRM2 | |
| SCHEMBL10686996 | 0.93 | ALDH1A1 (0.49) | ALDH1A1HTR1AADRA1DADRA1ACHRM2 | |
| SCHEMBL10686546 | 0.92 | ALDH1A1 (0.51) | ALDH1A1HTR1AADRA1DADRA1ACHRM2 | |
| SCHEMBL10686859 | 0.92 | ALDH1A1 (0.47) | ALDH1A1HTR1AADRA1DADRA1ACHRM2 | |
| SCHEMBL10686549 | 0.92 | ALDH1A1 (0.51) | ALDH1A1HTR1AADRA1DADRA1ACHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4755323-A | Mixture of liquid crystalline compounds including substituted para-dioxane | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1988-07-05 | — | — | US | claimed |
| US-4755323-A | Mixture of liquid crystalline compounds including substituted para-dioxane | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1988-07-05 | — | — | US | disclosed |