Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | BACE1 | P56817 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | KHK | P50053 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | ACP1 | P24666 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29893012 | 1.00 | MAPT (0.48) | MAPTALDH1A1HPGDGLAACHE | |
| SCHEMBL22017128 | 0.87 | GAA (0.44) | MAPTALDH1A1HPGDGLAACHE | |
| SCHEMBL13335964 | 0.87 | GAA (0.44) | MAPTALDH1A1HPGDGLAACHE | |
| SCHEMBL14280966 | 0.83 | ESR1 (0.42) | MAPTALDH1A1HPGDGLAACHE | |
| SCHEMBL30106718 | 0.80 | ALDH1A1 (0.48) | MAPTALDH1A1HPGDGLAACHE | |
| SCHEMBL28139216 | 0.80 | ALDH1A1 (0.48) | MAPTALDH1A1HPGDGLAACHE | |
| SCHEMBL25322113 | 0.78 | ALDH1A1 (0.46) | MAPTALDH1A1HPGDGLAACHE | |
| SCHEMBL2329389 | 0.78 | KMT2A (0.50) | MAPTALDH1A1HPGDGLAACHE | |
| SCHEMBL25322076 | 0.78 | BACE1 (0.51) | MAPTALDH1A1HPGDGLAACHE | |
| SCHEMBL30159356 | 0.78 | BACE1 (0.51) | MAPTALDH1A1HPGDGLAACHE |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110156678-A | A kind of purposes of the derivatives of bis- (trifluoromethyl) the quinolines 4- modifications of 2,8- in controlling plant diseases | 兰州大学 | 2019-08-23 | — | — | CN | disclosed |
| WO-1998033786-A1 | ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS | THE SCRIPPS RESEARCH INSTITUTE (US) | 1998-08-06 | — | — | WO | disclosed |