Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | HTR2C | P28335 | 6/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30622217 | 1.00 | SMN1; SMN2 (0.36) | SMN1; SMN2HTR2CHTR2AKDM4EALDH1A1 | |
| SCHEMBL29132999 | 0.82 | ALOX5AP (0.33) | CYP2C19CYP2D6ADRA1A | |
| SCHEMBL30622210 | 0.82 | ALOX5AP (0.33) | CYP2C19CYP2D6ADRA1A | |
| SCHEMBL30622218 | 0.77 | KDM4E (0.48) | HTR2CHTR2AKDM4EHTR2BKMT2A | |
| SCHEMBL29132971 | 0.77 | KDM4E (0.48) | HTR2CHTR2AKDM4EHTR2BKMT2A | |
| SCHEMBL20472405 | 0.74 | CNR2 (0.47) | CYP2D6ADRA1AP2RX7 | |
| SCHEMBL10765944 | 0.73 | IDO1 (0.46) | SMN1; SMN2HTR2CHTR2AKDM4EALDH1A1 | |
| SCHEMBL4796836 | 0.73 | SMN1; SMN2 (0.48) | SMN1; SMN2KDM4EALDH1A1DPP4KMT2A | |
| SCHEMBL30622266 | 0.71 | NOTUM (0.33) | — | |
| SCHEMBL29132962 | 0.71 | NOTUM (0.33) | — |
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-117088884-A | Imidazopyridazine derivatives as GABAA receptor modulators, pharmaceutical compositions and uses | 上海赛默罗德生物科技有限公司 | 2023-11-21 | — | — | CN | disclosed |