Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | STAT1 | P42224 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.40 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.40 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28364642 | 0.85 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1ATMNTRK1HTT | |
| SCHEMBL21753627 | 0.84 | ALDH1A1 (0.48) | ALDH1A1L3MBTL1ATMNTRK1HTT | |
| SCHEMBL21753616 | 0.81 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1ATMNTRK1HTT | |
| SCHEMBL21753653 | 0.81 | P2RY1 (0.48) | ALDH1A1L3MBTL1ATMNTRK1GAA | |
| SCHEMBL21753629 | 0.79 | P2RY1 (0.51) | ALDH1A1L3MBTL1ATMNTRK1GAA | |
| SCHEMBL21753656 | 0.76 | ALDH1A1 (0.46) | ALDH1A1L3MBTL1ATMNTRK1HTT | |
| SCHEMBL28883960 | 0.76 | ALDH1A1 (0.45) | ALDH1A1L3MBTL1ATMNTRK1HTT | |
| SCHEMBL21753644 | 0.74 | P2RY1 (0.43) | ALDH1A1L3MBTL1ATMNTRK1TDP1 | |
| SCHEMBL21753623 | 0.74 | P2RY1 (0.43) | ALDH1A1L3MBTL1ATMNTRK1TDP1 | |
| SCHEMBL21753619 | 0.74 | NTRK1 (0.50) | ALDH1A1L3MBTL1ATMNTRK1HTT |
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-2020038279-A1 | SUBSTITUTED PYRAZOLE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF | 天津谷堆生物医药科技有限公司 | 2020-02-27 | — | — | WO | disclosed |