Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.52 |
| ▸ | TMEM97 | Q5BJF2 | 5/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.51 |
| ▸ | CPT2 | P23786 | 2/20 | 0.48 |
| ▸ | CPT1A | P50416 | 2/20 | 0.48 |
| ▸ | CPT1B | Q92523 | 2/20 | 0.48 |
| ▸ | PREP | P48147 | 3/20 | 0.47 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.47 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29760850 | 1.00 | CYP3A4 (0.52) | CYP3A4CYP2D6CYP2C9GRIN2BTMEM97 | |
| SCHEMBL29174258 | 0.84 | HSD11B1 (0.54) | GRIN2BTMEM97SIGMAR1PREPAADAT | |
| SCHEMBL29097370 | 0.83 | TMEM97 (0.55) | GRIN2BTMEM97SIGMAR1PREPFKBP1A | |
| SCHEMBL4033512 | 0.80 | TMEM97 (0.68) | TMEM97SIGMAR1PREPFKBP1A | |
| SCHEMBL20510795 | 0.80 | TMEM97 (0.47) | CYP3A4CYP2D6CYP2C9GRIN2BTMEM97 | |
| SCHEMBL29277932 | 0.79 | PREP (0.52) | GRIN2BTMEM97SIGMAR1PREPAADAT | |
| Water SCHEMBL27700641 | 0.79 | TMEM97 (0.67) | TMEM97SIGMAR1PREPFKBP1A | |
| SCHEMBL14637214 | 0.78 | CPT1A (0.46) | CYP2C9CPT2CPT1ACPT1B | |
| SCHEMBL29113749 | 0.78 | PKM (0.55) | GRIN2BTMEM97SIGMAR1CPT2CPT1A | |
| SCHEMBL2148247 | 0.78 | PREP (0.51) | TMEM97SIGMAR1PREPAADAT |
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-115746000-A | Compounds and methods for modulating bruton's tyrosine kinase | 嘉兴和剂药业有限公司 | 2023-03-07 | — | — | CN | disclosed |
| CN-109071455-B | Compounds and methods for modulating bruton's tyrosine kinase | 嘉兴和剂药业有限公司 | 2022-08-02 | — | — | CN | disclosed |