Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.59 |
| ▸ | LTA4H | P09960 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
| ▸ | IKBKB | O14920 | 1/20 | 0.55 |
| ▸ | BRAF | P15056 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | CRHBP | P24387 | 1/20 | 0.54 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL4262228 | 0.98 | GAA (0.62) | GAAALDH1A1RCE1LTA4HTSHR | |
| SCHEMBL30617018 | 0.98 | GAA (0.62) | GAAALDH1A1RCE1LTA4HTSHR | |
| SCHEMBL5723 | 0.98 | GAA (0.62) | GAAALDH1A1RCE1LTA4HTSHR | |
| Hydrochloric Acid SCHEMBL50730 | 0.95 | GAA (0.60) | GAAALDH1A1RCE1LTA4HTSHR | |
| SCHEMBL4259559 | 0.93 | GAA (0.58) | GAAALDH1A1RCE1LTA4HTSHR | |
| SCHEMBL1271606 | 0.93 | GAA (0.67) | GAAALDH1A1RCE1LTA4HTSHR | |
| SCHEMBL6289248 | 0.93 | GAA (0.67) | GAAALDH1A1RCE1LTA4HTSHR | |
| SCHEMBL21612709 | 0.92 | GAA (0.68) | GAAALDH1A1RCE1LTA4HTSHR | |
| Aniline SCHEMBL22169197 | 0.91 | MAOA (0.58) | GAAALDH1A1RCE1LTA4HTSHR | |
| SCHEMBL6289288 | 0.91 | GAA (0.64) | GAAALDH1A1RCE1LTA4HTSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0288515-B1 | QUATERNIZED NITROGEN CONTAINING COMPOUNDS | ISP INVESTMENTS INC. (US) | 1993-05-05 | — | — | EP | disclosed |
| EP-0288515-A4 | QUATERNIZED NITROGEN CONTAINING COMPOUNDS | — | 1990-09-26 | — | — | EP | disclosed |
| EP-0288515-A1 | QUATERNIZED NITROGEN CONTAINING COMPOUNDS. | GAF CORP (US) | 1988-11-02 | — | — | EP | disclosed |
| WO-1988002985-A1 | QUATERNIZED NITROGEN CONTAINING COMPOUNDS | GAF CORPORATION (US) | 1988-05-05 | — | — | WO | disclosed |