Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 9/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | KDM5A | P29375 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.36 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | TACR2 | P21452 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SHBG | P04278 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL26040144 | 1.00 | KCNH2 (0.47) | KCNH2CYP19A1CNR1CNR2KDM5A | |
| SCHEMBL26048236 | 0.98 | KCNH2 (0.44) | KCNH2CYP19A1CNR1CNR2KDM5A | |
| SCHEMBL18966935 | 0.85 | CYP19A1 (0.38) | CYP19A1KDM5AKDM4CKDM5BKDM4E | |
| SCHEMBL28221869 | 0.78 | KCNH2 (0.50) | KCNH2CYP19A1CNR1CNR2KDM5A | |
| SCHEMBL19578802 | 0.78 | KCNH2 (0.50) | KCNH2CYP19A1CNR1CNR2KDM5A | |
| SCHEMBL8664135 | 0.76 | KCNH2 (0.48) | KCNH2CYP19A1CNR1CNR2KDM5A | |
| Bromide SCHEMBL28491346 | 0.76 | KCNH2 (0.48) | KCNH2CYP19A1CNR1CNR2KDM5A | |
| SCHEMBL28108025 | 0.76 | KCNH2 (0.44) | KCNH2CYP19A1CNR1CNR2KDM5A | |
| SCHEMBL23788933 | 0.76 | NOS3 (0.37) | ESR1 | |
| SCHEMBL2629293 | 0.76 | KCNH2 (0.47) | KCNH2CYP19A1CNR1CNR2KDM5A |
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 |
|---|---|---|---|---|---|---|---|
| US-20230227466-A1 | SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE | SHY THERAPEUTICS, LLC | 2023-07-20 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20230227466-A1 | SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE | KRAS, G3BP1, NRAS | KCNH2 4588/4885CYP19A1 4679/4885CNR1 3948/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.