Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 2/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30840071 | 0.94 | MEN1 (0.55) | MEN1KMT2AKDM4EALDH1A1TSHR | |
| SCHEMBL29280894 | 0.94 | MEN1 (0.55) | MEN1KMT2AKDM4EALDH1A1TSHR | |
| Trifluoroacetic Acid SCHEMBL29280926 | 0.85 | KDM4E (0.45) | KDM4EALDH1A1TSHRHTTSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL29280886 | 0.85 | F10 (0.47) | KDM4EALDH1A1TSHRHTTSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL29280901 | 0.83 | CACNA1I (0.48) | KMT2AKDM4EALDH1A1TSHRHTT | |
| Trifluoroacetic Acid SCHEMBL29207981 | 0.83 | ALDH1A1 (0.44) | KDM4EALDH1A1TSHRHTTSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL29280892 | 0.83 | KDM4E (0.43) | KDM4EALDH1A1TSHRHTTSMN1; SMN2 | |
| SCHEMBL29280915 | 0.82 | HTR2A (0.61) | KDM4EHTR2AHTR2CKCNH2CHRM4 | |
| Trifluoroacetic Acid SCHEMBL29280921 | 0.82 | ACHE (0.45) | KDM4EALDH1A1TSHRHTTSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL29280897 | 0.81 | GABRA5 (0.43) | KDM4EALDH1A1TSHRHTTSMN1; SMN2 |
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-117820199-A | Amide compound and application thereof in preparation of Sigma2 and 5HT2A inhibitors | 瀚远医药有限公司 | 2024-04-05 | — | — | CN | disclosed |