Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | SCN1A | P35498 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL9516216 | 1.00 | ALDH1A1 (0.43) | ALDH1A1HTTKDM4EMAPK1SMN1; SMN2 | |
| SCHEMBL28862350 | 0.98 | ALDH1A1 (0.44) | ALDH1A1HTTKDM4EMAPK1SMN1; SMN2 | |
| SCHEMBL612716 | 0.93 | SMN1; SMN2 (0.46) | ALDH1A1HTTKDM4EMAPK1SMN1; SMN2 | |
| SCHEMBL31687724 | 0.85 | ALDH1A1 (0.42) | ALDH1A1HTTKDM4EMAPK1SMN1; SMN2 | |
| SCHEMBL31687756 | 0.85 | ALDH1A1 (0.42) | ALDH1A1HTTKDM4EMAPK1SMN1; SMN2 | |
| SCHEMBL31687761 | 0.85 | ALDH1A1 (0.42) | ALDH1A1HTTKDM4EMAPK1SMN1; SMN2 | |
| SCHEMBL28236463 | 0.81 | HRH3 (0.50) | ALDH1A1KDM4EHRH3TSHR | |
| SCHEMBL3481823 | 0.80 | ALDH1A1 (0.50) | ALDH1A1HTTKDM4EMAPK1SMN1; SMN2 | |
| SCHEMBL129602 | 0.80 | GNAI3 (0.33) | — | |
| SCHEMBL26601910 | 0.80 | ALDH1A1 (0.54) | ALDH1A1KDM4EMAPK1SMN1; SMN2LMNA |
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-106232576-B | Containing amidino groups or containing the silane of guanidine radicals | SIKA技术股份公司 | 2019-03-01 | — | — | CN | disclosed |