Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.54 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.49 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.49 |
| ▸ | CXCR4 | P61073 | 12/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | CCR2 | P41597 | 1/20 | 0.47 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.45 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 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 | |
|---|---|---|---|---|
| SCHEMBL22422495 | 1.00 | CHRNB2 (0.54) | CHRNB2CHRNA4SIGMAR1CHRNA1CHRNA7 | |
| SCHEMBL626347 | 0.80 | L3MBTL1 (0.61) | SIGMAR1CXCR4MEN1CHRM2CHRM1 | |
| SCHEMBL27969917 | 0.80 | CHRNB2 (0.47) | CHRNB2CHRNA4SIGMAR1CXCR4MEN1 | |
| SCHEMBL13770498 | 0.80 | CXCR4 (0.49) | SIGMAR1CXCR4MEN1CHRM2CHRM1 | |
| SCHEMBL18390568 | 0.80 | MC4R (0.51) | SIGMAR1TDP1 | |
| SCHEMBL4757486 | 0.80 | SIGMAR1 (0.47) | SIGMAR1CXCR4MEN1CHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL17062037 | 0.79 | L3MBTL1 (0.59) | SIGMAR1CXCR4MEN1CHRM2CHRM1 | |
| SCHEMBL17929340 | 0.79 | CXCR4 (0.68) | CHRNB2CHRNA4SIGMAR1CXCR4MEN1 | |
| SCHEMBL17828171 | 0.78 | ACHE (0.54) | HRH3 | |
| SCHEMBL26665904 | 0.77 | SIGMAR1 (0.55) | CHRNB2CHRNA4SIGMAR1CXCR4MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114380825-B | Substituted pyrazole condensed ring derivative and preparation method and application thereof | 北京志健金瑞生物医药科技有限公司 | 2024-02-13 | — | — | CN | disclosed |
| CN-112771043-B | Substituted pyrazole condensed ring derivative and preparation method and application thereof | 北京志健金瑞生物医药科技有限公司 | 2023-04-28 | — | — | CN | disclosed |
| CN-114380825-A | Substituted pyrazole fused ring derivative and preparation method and application thereof | 北京志健金瑞生物医药科技有限公司 | 2022-04-22 | — | — | CN | disclosed |