Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CHKA | P35790 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TPSAB1 | Q15661 | 3/20 | 0.34 |
| ▸ | TPSD1 | Q9BZJ3 | 3/20 | 0.34 |
| ▸ | TPSG1 | Q9NRR2 | 3/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.34 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18390487 | 0.77 | CA2 (0.47) | CA2CHKALMNACHRNB2CHRNA3 | |
| SCHEMBL27955404 | 0.77 | SMN1; SMN2 (0.39) | SMN1; SMN2LMNACHRNB2CHRNA3CHRNA4 | |
| SCHEMBL28025455 | 0.77 | DPP4 (0.39) | SMN1; SMN2LMNADPP4 | |
| SCHEMBL854419 | 0.75 | CHRM3 (0.42) | SMN1; SMN2TPSAB1TPSD1TPSG1DPP4 | |
| SCHEMBL25247324 | 0.74 | CHRM3 (0.46) | SMN1; SMN2LMNAALDH1A1DPP4CYP2D6 | |
| Water SCHEMBL27795195 | 0.74 | CHRM3 (0.41) | SMN1; SMN2TPSAB1TPSD1TPSG1DPP4 | |
| Methane SCHEMBL27517655 | 0.74 | CHRM3 (0.41) | SMN1; SMN2TPSAB1TPSD1TPSG1DPP4 | |
| Hydrochloric Acid SCHEMBL27564439 | 0.74 | CHRM3 (0.41) | SMN1; SMN2TPSAB1TPSD1TPSG1DPP4 | |
| Ammonia Solution, Strong SCHEMBL28789148 | 0.74 | CHRM3 (0.41) | SMN1; SMN2TPSAB1TPSD1TPSG1DPP4 | |
| SCHEMBL18390492 | 0.73 | CA2 (0.43) | CA2CHKASMN1; SMN2CHRNB2CHRNA3 |
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-114981259-B | Novel heterocyclic compound | 豪夫迈·罗氏有限公司 | 2024-06-18 | — | — | CN | disclosed |
| CN-114981259-A | Novel heterocyclic compound | 豪夫迈·罗氏有限公司 | 2022-08-30 | — | — | CN | disclosed |