Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 2/20 | 0.33 |
| ▸ | DPP4 | P27487 | 6/20 | 0.32 |
| ▸ | DPP8 | Q6V1X1 | 4/20 | 0.32 |
| ▸ | DPP9 | Q86TI2 | 4/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL2861217 | 0.82 | HPGD (0.36) | ALDH1A1HSD11B1MAPK10HPGDCTSK | |
| Ethyl Acetate SCHEMBL5389669 | 0.79 | ALDH1A1 (0.50) | ALDH1A1TSHRNPSR1CTSKCYP2D6 | |
| Acetic Acid SCHEMBL9843831 | 0.78 | CA1 (0.35) | HSD11B1MAPK10HPGDCTSKDPP4 | |
| Acetic Acid SCHEMBL9843899 | 0.78 | CA1 (0.39) | HSD11B1MAPK10HPGDCTSKDPP4 | |
| Bicarbonate SCHEMBL10618281 | 0.77 | CES2 (0.38) | ALDH1A1HSD11B1DPP4DPP8CYP3A4 | |
| SCHEMBL14051613 | 0.76 | DPP4 (0.44) | ALDH1A1DPP4DPP8DPP9CYP1A2 | |
| SCHEMBL56954 | 0.75 | — | — | |
| SCHEMBL10437830 | 0.75 | CES2 (0.36) | ALDH1A1HSD11B1DPP4DPP8CYP3A4 | |
| Formic Acid Methyl Ester SCHEMBL29242886 | 0.74 | ADH1C (0.31) | — | |
| Dimethylamine SCHEMBL9461913 | 0.74 | EPHX1 (0.32) | ALDH1A1 |
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-108431007-A | PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER | 洛克索肿瘤学股份有限公司 | 2018-08-21 | — | — | CN | disclosed |