Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | EP300 | Q09472 | 1/20 | 0.46 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | APP | P05067 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 2/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5748942 | 0.94 | IDO1 (0.43) | IDO1EP300KAT8CYP1A2ERBB2 | |
| SCHEMBL5748760 | 0.90 | IDO1 (0.50) | IDO1EP300KAT8CYP1A2ERBB2 | |
| SCHEMBL16241709 | 0.86 | CYP1A2 (0.52) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL5748372 | 0.84 | CYP1A2 (0.43) | IDO1EP300CYP1A2ERBB2FYN | |
| SCHEMBL5750461 | 0.83 | ALDH1A1 (0.42) | IDO1EP300KAT8CYP1A2ERBB2 | |
| SCHEMBL5749544 | 0.83 | IDO1 (0.57) | IDO1EP300KAT8ALDH1A1TDP1 | |
| SCHEMBL5746648 | 0.83 | IDO1 (0.57) | IDO1EP300KAT8ALDH1A1TDP1 | |
| SCHEMBL5749206 | 0.80 | CYP1A2 (0.46) | EP300CYP1A2ERBB2FYNMAOA | |
| SCHEMBL5747739 | 0.79 | CYP1A2 (0.41) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL5745785 | 0.78 | NPC1 (0.42) | IDO1EP300KAT8CYP1A2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105136787-A | Detection reagent for mono-hydroxyphenyl metabolin urine | SHANGHAI FEI JI BIOTECHNOLOGY CO LTD | 2015-12-09 | — | — | CN | disclosed |
| US-20060293503-A1 | Polyaminopyridines and method for producing same | SUMITOMO SEIKA CHEMICALS CO., LTD (JP) | 2006-12-28 | — | — | US | disclosed |
| EP-1669390-A1 | POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME | SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) | 2006-06-14 | — | — | EP | disclosed |