Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | HTT | P42858 | 3/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 2/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | FBP1 | P09467 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28202467 | 0.87 | MAPT (0.33) | ALDH1A1MAPTCYP1A2NPC1HPGD | |
| SCHEMBL28201713 | 0.85 | AGTR1 (0.34) | ALDH1A1MAPTSMN1; SMN2KMT2ACES2 | |
| SCHEMBL28856441 | 0.84 | ALDH1A1 (0.40) | ALDH1A1MAPTCYP1A2KMT2AHTT | |
| SCHEMBL28856660 | 0.84 | KMT2A (0.35) | ALDH1A1MAPTCYP1A2SMN1; SMN2KMT2A | |
| SCHEMBL27908005 | 0.81 | CYP19A1 (0.40) | ALDH1A1MAPTSMN1; SMN2HTTGAA | |
| SCHEMBL27515539 | 0.78 | POLB (0.41) | ALDH1A1MAPTCYP1A2NPC1HPGD | |
| Methyl Alcohol SCHEMBL27656571 | 0.76 | POLB (0.40) | ALDH1A1MAPTCYP1A2NPC1HPGD | |
| SCHEMBL27907899 | 0.73 | MAPK1 (0.40) | ALDH1A1MAPTSMN1; SMN2HTTGAA | |
| SCHEMBL28201737 | 0.73 | BCL2 (0.35) | ALDH1A1MAPTCYP1A2NPC1RAB9A | |
| SCHEMBL27802819 | 0.72 | POLB (0.42) | ALDH1A1MAPTCYP1A2NPC1HPGD |
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-107778210-A | The synthetic method of 3 selenoindoles class compounds | 苏州大学 | 2018-03-09 | — | — | CN | disclosed |