Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.52 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 4/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | EP300 | Q09472 | 1/20 | 0.48 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5747064 | 0.94 | ALDH1A1 (0.50) | NQO1ALDH1A1TDP1ADRA2BPTGS1 | |
| SCHEMBL8393507 | 0.88 | NQO1 (0.67) | NQO1ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL29919905 | 0.88 | NQO1 (0.67) | NQO1ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL426014 | 0.86 | ALDH1A1 (0.48) | NQO1ALDH1A1TDP1ADRA2BPTGS1 | |
| SCHEMBL30949381 | 0.82 | NQO1 (0.72) | NQO1ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL1003225 | 0.82 | NQO1 (0.72) | NQO1ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL8391116 | 0.81 | ALDH1A1 (0.59) | NQO1ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL29862025 | 0.81 | ALDH1A1 (0.59) | NQO1ALDH1A1HPGDHSD17B10KDM4E | |
| SCHEMBL29351158 | 0.81 | ALDH1A1 (0.62) | ALDH1A1TDP1HPGDHSD17B10KDM4E | |
| SCHEMBL5545202 | 0.81 | ALDH1A1 (0.62) | ALDH1A1TDP1HPGDHSD17B10KDM4E |
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 |