Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | NAMPT | P43490 | 2/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29534989 | 0.93 | ATM (0.47) | PIK3CANPC1RAB9ACYP2C9MAPT | |
| SCHEMBL24102305 | 0.93 | ATM (0.47) | PIK3CANPC1RAB9ACYP2C9MAPT | |
| SCHEMBL29534859 | 0.92 | CYP2C9 (0.53) | PIK3CARAB9ACYP2C9MAPTALDH1A1 | |
| SCHEMBL24102289 | 0.92 | CYP2C9 (0.53) | PIK3CARAB9ACYP2C9MAPTALDH1A1 | |
| SCHEMBL24102242 | 0.91 | NAMPT (0.51) | PIK3CANPC1RAB9ACYP2C9SMN1; SMN2 | |
| SCHEMBL24102302 | 0.91 | SMN1; SMN2 (0.53) | PIK3CANPC1RAB9ACYP2C9MAPT | |
| SCHEMBL29535886 | 0.90 | EGFR (0.50) | PIK3CANPC1RAB9AALDH1A1NAMPT | |
| SCHEMBL24102498 | 0.90 | EGFR (0.50) | PIK3CANPC1RAB9AALDH1A1NAMPT | |
| SCHEMBL24102310 | 0.89 | LMNA (0.47) | PIK3CACYP2C9MAPTALDH1A1NPSR1 | |
| SCHEMBL24102555 | 0.89 | ALDH1A1 (0.58) | PIK3CACYP2C9MAPTALDH1A1NPSR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111285806-B | Pyrazole compound and preparation method, application and pharmaceutical composition thereof | 中国医学科学院药物研究所 | 2022-04-15 | — | — | CN | disclosed |
| WO-2021248256-A1 | PYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR, USE THEREOF AND PHARMACEUTICAL COMPOSITION THEREOF | 中国医学科学院药物研究所 | 2021-12-16 | — | — | WO | disclosed |