Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | AKT2 | P31751 | 1/20 | 0.38 |
| ▸ | TTBK1 | Q5TCY1 | 1/20 | 0.38 |
| ▸ | TTBK2 | Q6IQ55 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | RHEB | Q15382 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7176453 | 0.75 | DPP4 (0.53) | ALDH1A1HTTDPP4HPGDTTBK1 | |
| SCHEMBL12071342 | 0.75 | LYN (0.51) | ALDH1A1HTTDPP4KMT2AHPGD | |
| SCHEMBL1008641 | 0.75 | PRMT5 (0.43) | ALDH1A1HTTKMT2AHPGDSLC6A2 | |
| SCHEMBL6216924 | 0.74 | POLB (0.54) | ALDH1A1PDE4BKCNH2ARMAPK14 | |
| SCHEMBL3790160 | 0.73 | DPP4 (0.62) | ALDH1A1HTTDPP4KMT2AHPGD | |
| SCHEMBL1436765 | 0.72 | HPGD (0.59) | ALDH1A1HTTDPP4KMT2AHPGD | |
| Ammonia Solution, Strong SCHEMBL4267774 | 0.71 | DPP4 (0.60) | ALDH1A1DPP4KMT2AHPGDSLC6A2 | |
| SCHEMBL11779872 | 0.71 | ALDH1A1 (0.52) | ALDH1A1HTTKMT2AHPGDSLC6A2 | |
| SCHEMBL11477740 | 0.70 | TDP1 (0.53) | ALDH1A1HTTDPP4KCNH2SCN5A | |
| SCHEMBL11547272 | 0.70 | ALDH1A1 (0.47) | ALDH1A1HTTKMT2ATTBK1TTBK2 |
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-101035766-A | 3-(2-hydroxyphenyl) pyrazoles and their use as HSP90 modulators | MERCK PATENT GMBH (DE) | 2007-09-12 | — | — | CN | disclosed |