Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4Z1 | Q86W10 | 5/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | ADH1B | P00325 | 1/20 | 0.31 |
| ▸ | ADH1C | P00326 | 1/20 | 0.31 |
| ▸ | ADH1A | P07327 | 1/20 | 0.31 |
| ▸ | ADH7 | P40394 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.31 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.31 |
| ▸ | GNAO1 | P09471 | 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 | |
|---|---|---|---|---|
| SCHEMBL11883639 | 0.93 | ALDH1A1 (0.40) | CYP4Z1GAAPOLBTSHRCYP2C19 | |
| SCHEMBL28165347 | 0.79 | TBXAS1 (0.44) | CYP4Z1POLBTSHRCYP2C19TLR8 | |
| SCHEMBL20408637 | 0.73 | — | — | |
| SCHEMBL529880 | 0.73 | TBXAS1 (0.47) | CYP4Z1POLBTSHRCYP2C19ALDH1A1 | |
| SCHEMBL5358426 | 0.65 | EPHX1 (0.42) | CYP4Z1TSHRALDH1A1ADH1BADH1C | |
| SCHEMBL1964419 | 0.65 | EPHX1 (0.42) | CYP4Z1TSHRALDH1A1ADH1BADH1C | |
| SCHEMBL5393991 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL11550862 | 0.60 | GNAI3 (0.61) | CYP4Z1TSHRKDM4EALDH1A1ADH1B | |
| Hydrochloric Acid SCHEMBL29031198 | 0.60 | TBXAS1 (0.43) | POLBTSHRKDM4ETLR8ALDH1A1 | |
| SCHEMBL2364458 | 0.60 | TBXAS1 (0.54) | GAAPOLBKDM4ETLR8ALDH1A1 |
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-1963253-A2 | RING ALKYLATION OF ANILINE OR AN ANILINE DERIVATIVE USING IONIC LIQUID CATALYSTS | CHEMTURA CORPORATION (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007070263-A2 | RING ALKYLATION OF ANILINE OR AN ANILINE DERIVATIVE USING IONIC LIQUID CATALYSTS | CHEMTURA CORPORATION (US) | 2007-06-21 | — | — | WO | disclosed |