Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | ODC1 | P11926 | 3/20 | 0.33 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.32 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.31 |
| ▸ | GABRP | O00591 | 1/20 | 0.31 |
| ▸ | GABRD | O14764 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.31 |
| ▸ | SLC6A1 | P30531 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18274690 | 0.86 | ALDH1A1 (0.35) | CYP1A2ALDH1A1THRBNPSR1 | |
| SCHEMBL12972547 | 0.84 | NPSR1 (0.41) | CYP1A2ODC1CPB2ALDH1A1PAOX | |
| SCHEMBL15679087 | 0.84 | POLB (0.33) | ALDH1A1LMNATSHRNPSR1 | |
| SCHEMBL3412121 | 0.83 | ALDH1A1 (0.52) | CYP1A2ALDH1A1LMNATSHRNPSR1 | |
| Octadecylamine SCHEMBL29771471 | 0.81 | DNM1 (0.45) | CPB2ALDH1A1THRBTSHRKMT2A | |
| Hydrochloric Acid SCHEMBL18492368 | 0.81 | ALDH1A1 (0.50) | CYP1A2ALDH1A1LMNATSHRNPSR1 | |
| SCHEMBL16641610 | 0.81 | CYP4F2 (0.32) | ALDH1A1LMNA | |
| SCHEMBL21138399 | 0.81 | CYP1A2 (0.36) | CYP1A2ODC1CPB2ALDH1A1PAOX | |
| SCHEMBL4676581 | 0.81 | NAAA (0.50) | ALDH1A1LMNATSHRNPSR1HTR2C | |
| SCHEMBL28012766 | 0.81 | CYP1A2 (0.36) | CYP1A2ODC1CPB2ALDH1A1PAOX |
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-4093523-A | POTASSIUM CHLORIDE, BORIC ACID, AROMATIC ALDEHYDE OR KETONE IN A WETTING AGENT SYSTEM OF A FATTY IMIDAZOLE SULFONATE, A FATTY AMIDO BETAINE AND HYDROTROPE | Wild, Edward B. (US) | 1978-06-06 | — | — | US | claimed |