Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.68 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.68 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.68 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.68 |
| ▸ | PRKCA | P17252 | 1/20 | 0.68 |
| ▸ | BACE1 | P56817 | 1/20 | 0.68 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.68 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.55 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.55 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.55 |
| ▸ | MAOA | P21397 | 1/20 | 0.55 |
| ▸ | PDE5A | O76074 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 4/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.52 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.50 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL27013475 | 1.00 | ESR1 (0.68) | ESR1AKR1B10AKR1B1PDPK1PRKCA | |
| Neophellamuretin SCHEMBL27013455 | 0.88 | ABCG2 (0.66) | ESR1AKR1B10AKR1B1PDPK1PRKCA | |
| Neophellamuretin SCHEMBL30766255 | 0.88 | ABCG2 (0.66) | ESR1AKR1B10AKR1B1PDPK1PRKCA | |
| SCHEMBL13111972 | 0.87 | PDPK1 (0.51) | ESR1AKR1B10AKR1B1PDPK1PRKCA | |
| SCHEMBL28910074 | 0.84 | BACE1 (0.48) | ESR1AKR1B10AKR1B1PDPK1PRKCA | |
| SCHEMBL34461906 | 0.81 | ESR1 (0.56) | ESR1AKR1B10AKR1B1PDPK1PRKCA | |
| Isoxanthohumol SCHEMBL29743582 | 0.81 | ESR1 (1.00) | ESR1AKR1B10AKR1B1PDPK1PRKCA | |
| Isoxanthohumol SCHEMBL904557 | 0.81 | ESR1 (1.00) | ESR1AKR1B10AKR1B1PDPK1PRKCA | |
| Isoxanthohumol SCHEMBL14092988 | 0.81 | ESR1 (1.00) | ESR1AKR1B10AKR1B1PDPK1PRKCA | |
| Isoxanthohumol SCHEMBL30033683 | 0.81 | ESR1 (1.00) | ESR1AKR1B10AKR1B1PDPK1PRKCA |
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-20240016777-A1 | COMPOUNDS AND METHODS FOR TREATING VIRAL INFECTIONS | BETH ISRAEL DEACONESS MEDICAL CENTER, INC. | 2024-01-18 | — | — | 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-20240016777-A1 | COMPOUNDS AND METHODS FOR TREATING VIRAL INFECTIONS | THPO, SERPINB1, SERPINC1 | ESR1 4309/4885AKR1B10 2359/4885AKR1B1 1479/4885 |
“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.