Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | PPARA | Q07869 | 1/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | HPGDS | O60760 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11835580 | 1.00 | RAB9A (0.55) | RAB9ACYP2A6NPC1CYP2E1CYP2C9 | |
| SCHEMBL4919930 | 0.88 | CYP2A6 (0.50) | RAB9ACYP2A6NPC1CYP2E1CYP2C9 | |
| SCHEMBL3853565 | 0.82 | CYP2C9 (0.47) | RAB9ACYP2A6NPC1CYP2E1CYP2C9 | |
| SCHEMBL11783495 | 0.81 | RAB9A (0.54) | RAB9ANPC1CYP2C9CYP2C19USP30 | |
| SCHEMBL4036212 | 0.81 | CHRNB2 (0.54) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL11836452 | 0.80 | NPC1 (0.45) | RAB9ANPC1CYP1A2 | |
| SCHEMBL14466141 | 0.78 | CYP2C9 (0.46) | RAB9ACYP2A6NPC1CYP2E1CYP2C9 | |
| SCHEMBL14466245 | 0.78 | CYP2C9 (0.46) | RAB9ACYP2A6NPC1CYP2E1CYP2C9 | |
| SCHEMBL11841512 | 0.76 | SCD (0.50) | RAB9ACYP2A6NPC1CYP2E1CYP2C9 | |
| SCHEMBL4318440 | 0.76 | CYP3A4 (0.62) | RAB9ACYP2A6NPC1CYP2E1CYP2C9 |
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-111615514-B | Substituted pyrazolo [4,3-C ] pyridine compounds as RET kinase inhibitors | 奥瑞生物药品公司 | 2022-10-11 | — | — | CN | disclosed |