Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.68 |
| ▸ | ESR1 | P03372 | 1/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.55 |
| ▸ | HNF4A | P41235 | 1/20 | 0.53 |
| ▸ | MPO | P05164 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | BCL2 | P10415 | 1/20 | 0.50 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.50 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL921815 | 0.89 | ESR1 (0.67) | IDH1ESR1ESR2CA1CA2 | |
| SCHEMBL22864266 | 0.86 | ESR1 (0.57) | IDH1ESR1ESR2CA1CA2 | |
| SCHEMBL18466197 | 0.85 | KEAP1 (0.59) | IDH1ESR1ESR2HNF4ACA1 | |
| SCHEMBL9450817 | 0.84 | ESR1 (0.80) | IDH1ESR1ESR2HNF4AMPO | |
| SCHEMBL16436964 | 0.83 | CA1 (0.74) | IDH1ESR1ESR2CA1CA2 | |
| SCHEMBL14384632 | 0.83 | ESR1 (0.65) | IDH1ESR1ESR2CA1CA2 | |
| SCHEMBL921295 | 0.82 | ESR1 (0.83) | IDH1ESR1ESR2CA1CA2 | |
| SCHEMBL1584791 | 0.81 | IDH1 (1.00) | IDH1HNF4AMPOCA1CA2 | |
| SCHEMBL3304087 | 0.81 | CALM1 (0.55) | IDH1ESR1ESR2HNF4ACALM1 | |
| SCHEMBL15723335 | 0.80 | CA1 (0.68) | IDH1ESR1ESR2CA1CA2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230117370-A1 | REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS | OREGON STATE UNIVERSITY (US) | 2023-04-20 | — | — | US | disclosed |
| WO-2021211982-A2 | REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS | OREGON STATE UNIVERSITY (US) | 2021-10-21 | — | — | WO | disclosed |
| EP-0729465-A1 | PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE, DAVIS & COMPANY (US) | 1996-09-04 | — | — | EP | disclosed |
| EP-0729466-A1 | PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE, DAVIS & COMPANY (US) | 1996-09-04 | — | — | EP | disclosed |
| WO-1995014013-A1 | PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE, DAVIS & COMPANY (US) | 1995-05-26 | — | — | WO | disclosed |
| WO-1995014014-A2 | PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE, DAVIS & COMPANY (US) | 1995-05-26 | — | — | WO | 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-20230117370-A1 | REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS | CYP2B6, TYR, CYP2D6 | IDH1 1959/4885ESR1 972/4885ESR2 756/4885 |
“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.