Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | MPO | P05164 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | KDM5A | P29375 | 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 | |
|---|---|---|---|---|
| SCHEMBL28292414 | 0.80 | P2RX7 (0.49) | ALDH1A1KDM4EMAPTCYP1A2CYP2C19 | |
| Benzoic Acid Hydrazide SCHEMBL3586552 | 0.78 | CYP3A4 (0.56) | ALDH1A1KDM4EMAPTCYP1A2CYP2C19 | |
| SCHEMBL28266697 | 0.78 | SMN1; SMN2 (0.39) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| Benzoic Acid Hydrazide SCHEMBL28917631 | 0.76 | CYP3A4 (0.58) | ALDH1A1KDM4EMAPTCYP1A2CYP2C19 | |
| Benzoic Acid Hydrazide SCHEMBL83514 | 0.76 | CYP3A4 (0.62) | ALDH1A1KDM4EMAPTCYP1A2CYP2C19 | |
| Benzoic Acid Hydrazide SCHEMBL4515671 | 0.76 | CYP3A4 (0.62) | ALDH1A1KDM4EMAPTCYP1A2CYP2C19 | |
| SCHEMBL20078583 | 0.76 | CYP3A4 (0.62) | ALDH1A1KDM4EMAPTCYP1A2CYP2C19 | |
| Benzoic Acid Hydrazide SCHEMBL27897079 | 0.76 | ALDH1A1 (0.64) | ALDH1A1KDM4EMAPTCYP1A2CYP2C19 | |
| Benzoic Acid Hydrazide SCHEMBL922906 | 0.74 | CYP3A4 (0.60) | ALDH1A1KDM4EMAPTCYP1A2CYP2C19 | |
| Benzoic Acid Hydrazide SCHEMBL6469726 | 0.74 | CYP3A4 (0.60) | ALDH1A1KDM4EMAPTCYP1A2CYP2C19 |
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-109627210-A | A kind of gallium fluorescence probe and preparation method thereof, application and apply product | 东南大学 | 2019-04-16 | — | — | CN | disclosed |