Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.49 |
| ▸ | NCF1 | P14598 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | PTK2B | Q14289 | 2/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | TTR | P02766 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.42 |
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 SCHEMBL28086041 | 0.98 | COMT (0.47) | COMTNCF1HIF1ACYP1A2ALDH1A1 | |
| SCHEMBL5243080 | 0.87 | COMT (0.56) | COMTHIF1ACYP1A2ALDH1A1ALOX15 | |
| Water SCHEMBL21625620 | 0.85 | COMT (0.54) | COMTHIF1ACYP1A2ALDH1A1ALOX15 | |
| Hydrochloric Acid SCHEMBL27720632 | 0.85 | LMNA (0.55) | COMTHIF1ACYP1A2ALDH1A1ALOX15 | |
| Iodide SCHEMBL29914016 | 0.85 | COMT (0.54) | COMTHIF1ACYP1A2ALDH1A1ALOX15 | |
| SCHEMBL11043739 | 0.81 | NCF1 (0.47) | NCF1HIF1ACYP1A2ALDH1A1ALOX15 | |
| SCHEMBL11833661 | 0.81 | PABPC1 (0.49) | NCF1HIF1AMAPTSMN1; SMN2NPC1 | |
| SCHEMBL27462646 | 0.81 | NCF1 (0.52) | NCF1HIF1AMAPTSMN1; SMN2NPC1 | |
| SCHEMBL30978770 | 0.78 | COMT (0.59) | COMTHIF1ACYP1A2ALDH1A1ALOX15 | |
| SCHEMBL29159149 | 0.78 | COMT (0.59) | COMTHIF1ACYP1A2ALDH1A1ALOX15 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012168458-A1 | ZWITTERIONIC COMPOUNDS USEFUL AS CATALYSTS FOR ESTERIFICATION REACTIONS AND PROCESSES FOR THEIR PRODUCTION | ECOSYNTH BVBA (BE) | 2012-12-13 | — | — | WO | disclosed |
| US-4396620-A | BACTERICIDES | ELI LILLY AND COMPANY (US) | 1983-08-02 | — | — | US | disclosed |
| US-4382931-A | 3'-Substituted quinolinium cephalosporins | ELI LILLY AND COMPANY (US) | 1983-05-10 | — | — | US | disclosed |