Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | CKS1B | P61024 | 1/20 | 0.56 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | CCR6 | P51684 | 1/20 | 0.53 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.53 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.50 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.50 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 6/20 | 0.47 |
| ▸ | GAA | P10253 | 5/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12176925 | 0.83 | LOXL2 (0.65) | TP53ALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL28404517 | 0.83 | ALDH1A1 (0.55) | TP53ALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL17529371 | 0.82 | HPGD (0.54) | TP53ALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL16687961 | 0.80 | ALDH1A1 (0.69) | TP53ALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL15358758 | 0.80 | GFER (0.56) | ALDH1A1MAOACYP19A1CASP1 | |
| SCHEMBL16420936 | 0.80 | CCR6 (0.52) | TP53ALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL3566972 | 0.78 | LOXL2 (0.58) | TP53ALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL70185 | 0.78 | CYP4A11 (0.75) | TP53ALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL16687617 | 0.78 | TDP1 (0.65) | TP53ALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL17429664 | 0.77 | CYP4A11 (0.60) | TP53ALDH1A1CYP1A2CYP3A4HPGD |
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-106316987-B | Benzamide derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2020-11-17 | — | — | CN | disclosed |
| CN-105658635-B | Thieno naphthenic base or thieno heterocycle analog derivative, preparation method and its application in medicine | 江苏恒瑞医药股份有限公司 | 2019-03-08 | — | — | CN | disclosed |
| CN-105658635-A | Thienocycloalkyl or thienoheterocyclic derivatives, preparation method thereof and use thereof in medicine | 江苏恒瑞医药股份有限公司 | 2016-06-08 | — | — | CN | disclosed |