Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 5/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9147970 | 0.87 | TSHR (0.58) | HDAC1HDAC6TSHRKMT2AHPGD | |
| SCHEMBL8554596 | 0.85 | HDAC1 (0.53) | HDAC1HDAC6TSHRKMT2AHPGD | |
| SCHEMBL2208731 | 0.85 | HDAC1 (0.53) | HDAC1HDAC6TSHRKMT2AHPGD | |
| SCHEMBL1671236 | 0.82 | AR (0.47) | HDAC1HDAC6TSHRKMT2ADRD2 | |
| SCHEMBL5739046 | 0.81 | L3MBTL1 (0.57) | HDAC1HDAC6TSHRKMT2AHTR1A | |
| SCHEMBL24499948 | 0.81 | HDAC1 (0.45) | HDAC1HDAC6TSHRKMT2AHPGD | |
| SCHEMBL29598378 | 0.81 | HDAC1 (0.45) | HDAC1HDAC6TSHRKMT2AHPGD | |
| SCHEMBL2211793 | 0.79 | SIRT2 (0.59) | HDAC1HDAC6TSHRKMT2AHPGD | |
| SCHEMBL12388072 | 0.79 | LMNA (0.52) | HDAC1HDAC6TSHRKMT2ACYP2D6 | |
| SCHEMBL3793471 | 0.77 | POLB (0.44) | HDAC1HDAC6CYP2D6ARPOLB |
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 |