Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1110888 | 0.70 | ALDH1A1 (0.50) | ALDH1A1POLBALOX15HPGDTDP1 | |
| SCHEMBL30298614 | 0.69 | ALDH1A1 (0.52) | ALDH1A1POLBALOX15HPGDTDP1 | |
| SCHEMBL160878 | 0.69 | ALDH1A1 (0.52) | ALDH1A1POLBALOX15HPGDTDP1 | |
| SCHEMBL14033994 | 0.69 | ALDH1A1 (0.45) | ALDH1A1POLBALOX15HPGDTDP1 | |
| SCHEMBL6573452 | 0.69 | ALDH1A1 (0.44) | ALDH1A1POLBCES2CES1ALOX15 | |
| SCHEMBL5145030 | 0.66 | AKR1C3 (0.50) | ALDH1A1ALOX15HPGDTDP1ABCB11 | |
| SCHEMBL6973345 | 0.66 | CES2 (0.41) | ALDH1A1CES2CES1ALOX15HPGD | |
| SCHEMBL3349691 | 0.66 | TDP1 (0.42) | ALDH1A1CES2CES1ALOX15TDP1 | |
| SCHEMBL3748979 | 0.65 | CES2 (0.48) | ALDH1A1POLBCES2CES1ALOX15 | |
| SCHEMBL31200496 | 0.65 | ALDH1A1 (0.50) | ALDH1A1POLBALOX15HPGDHSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103965134-B | It is a kind of to contain N, S heterocyclic compound and its preparation method and purposes with eelworm-killing activity | 华东理工大学 | 2019-02-05 | — | — | CN | disclosed |