Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20530728 | 0.82 | CYP1A2 (0.46) | CYP1A2MAPTKDM4ELMNAGAA | |
| SCHEMBL20530692 | 0.71 | HSD17B10 (0.36) | KDM4ELMNA | |
| SCHEMBL11712332 | 0.67 | CYP1A2 (0.44) | CYP1A2MAPTGAADRD2HTR2A | |
| SCHEMBL11709331 | 0.66 | KCNH2 (0.50) | CYP1A2MAPTGAASIGMAR1DRD2 | |
| SCHEMBL11707511 | 0.65 | CYP1A2 (0.42) | CYP1A2MAPTSIGMAR1DRD2HTR2A | |
| SCHEMBL20530724 | 0.64 | HTR2A (0.46) | LMNAHTTDRD2HTR2A | |
| SCHEMBL30322109 | 0.63 | SLC6A3 (0.50) | SIGMAR1DRD2SLC6A3 | |
| Oxalic Acid SCHEMBL11719164 | 0.62 | POLB (0.48) | MAPTKDM4ELMNAGAASIGMAR1 | |
| SCHEMBL30134682 | 0.62 | HRH3 (0.51) | SIGMAR1DRD2TP53KCNH2 | |
| SCHEMBL21160632 | 0.62 | CYP1A2 (0.52) | CYP1A2MAPTKDM4ETDP1SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3388419-A1 | GLI1 INHIBITORS AND USES THEREOF | Leadiant Biosciences SA (CH) | 2018-10-17 | — | — | EP | claimed |
| EP-3388419-A1 | GLI1 INHIBITORS AND USES THEREOF | Leadiant Biosciences SA (CH) | 2018-10-17 | — | — | EP | disclosed |