Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | MYC | P01106 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 3/20 | 0.40 |
| ▸ | CDC25A | P30304 | 1/20 | 0.40 |
| ▸ | CDC25B | P30305 | 1/20 | 0.40 |
| ▸ | CDC25C | P30307 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4965866 | 0.78 | PDE4A (0.45) | RAB9ATSHRCYP1A2TP53MAPT | |
| SCHEMBL16935806 | 0.78 | SLC5A1 (0.49) | ALDH1A1RAB9APOLBTSHRCYP1A2 | |
| SCHEMBL20763779 | 0.74 | TSHR (0.66) | ALDH1A1TSHRCYP1A2CDC25ACDC25B | |
| SCHEMBL1078509 | 0.74 | TP53 (0.58) | ALDH1A1RAB9ATP53MAPTGAA | |
| SCHEMBL1708108 | 0.74 | POLB (0.53) | ALDH1A1RAB9APOLBMYCTSHR | |
| SCHEMBL4958802 | 0.73 | ALDH1A1 (0.57) | ALDH1A1CYP1A2TP53THRBMAPT | |
| SCHEMBL18355727 | 0.73 | ALDH1A1 (0.51) | ALDH1A1POLBCYP1A2TP53ELANE | |
| SCHEMBL18355722 | 0.73 | ALDH1A1 (0.60) | ALDH1A1POLBTP53KMT2AELANE | |
| SCHEMBL21621661 | 0.72 | GABRG2 (0.47) | ALDH1A1TSHR | |
| SCHEMBL1707968 | 0.71 | TSHR (0.47) | ALDH1A1RAB9APOLBMYCTSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020011246-A1 | BENZENE RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 广州丹康医药生物有限公司 | 2020-01-16 | — | — | WO | disclosed |