Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28632594 | 0.74 | CA1 (0.40) | — | |
| SCHEMBL18630355 | 0.74 | SIGMAR1 (0.35) | SIGMAR1PDE3BPDE3ACHRNB2CHRNA4 | |
| SCHEMBL28319875 | 0.70 | PDE3B (0.34) | SIGMAR1PDE3BPDE3ACHRNB2CHRNA4 | |
| SCHEMBL3818780 | 0.69 | NAMPT (0.35) | PDE3BPDE3A | |
| SCHEMBL31691807 | 0.68 | HDAC2 (0.36) | CYP11B2PDE3BPDE3A | |
| SCHEMBL28319864 | 0.68 | CA12 (0.35) | SIGMAR1PDE3BPDE3A | |
| SCHEMBL30750843 | 0.67 | NPC1 (0.34) | CYP1A2 | |
| SCHEMBL4624876 | 0.62 | — | — | |
| SCHEMBL28242885 | 0.60 | SIGMAR1 (0.35) | SIGMAR1PDE3BPDE3ACHRNB2CHRNA4 | |
| SCHEMBL5803283 | 0.60 | SIGMAR1 (0.39) | SIGMAR1CHRNB2CHRNA4 |
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-110291090-A | Bentyl as novel jak kinase inhibitor | 利奥制药有限公司 | 2019-09-27 | — | — | CN | disclosed |