Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HEXA | P06865 | 7/20 | 0.58 |
| ▸ | HEXB | P07686 | 7/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.57 |
| ▸ | DHFR | P00374 | 3/20 | 0.57 |
| ▸ | REN | P00797 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | HTR1A | P08908 | 1/20 | 0.57 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | HTR2A | P28223 | 1/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.57 |
| ▸ | HTR2B | P41595 | 1/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL5835121 | 0.76 | HEXA (0.78) | HEXAHEXBCYP3A4DHFRMEN1 | |
| SCHEMBL6361050 | 0.75 | HEXA (0.68) | HEXAHEXBCYP3A4DHFRMEN1 | |
| Etoprine SCHEMBL3919 | 0.75 | DHFR (0.70) | HEXAHEXBCYP3A4DHFRREN | |
| SCHEMBL8903514 | 0.74 | DHFR (0.68) | HEXAHEXBCYP3A4DHFRMEN1 | |
| SCHEMBL10995571 | 0.74 | HEXA (0.68) | HEXAHEXBCYP3A4DHFRMEN1 | |
| SCHEMBL8261006 | 0.74 | HEXA (1.00) | HEXAHEXBCYP3A4DHFRMEN1 | |
| Pyrimethamine SCHEMBL25129 | 0.73 | HEXA (1.00) | HEXAHEXBCYP3A4DHFRMEN1 | |
| Pyrimethamine SCHEMBL29381161 | 0.73 | HEXA (1.00) | HEXAHEXBCYP3A4DHFRMEN1 | |
| Pyrimethamine SCHEMBL15516970 | 0.73 | HEXA (1.00) | HEXAHEXBCYP3A4DHFRMEN1 | |
| SCHEMBL12368256 | 0.73 | HEXA (0.73) | HEXAHEXBCYP3A4DHFRREN |
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-20220289686-A1 | COMPOSITIONS OF NRF2 INHIBITING AGENTS AND METHODS OF USE THEREOF | WASHINGTON UNIVERSITY | 2022-09-15 | — | — | 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-20220289686-A1 | COMPOSITIONS OF NRF2 INHIBITING AGENTS AND METHODS OF USE THEREOF | KEAP1, GSTK1, NFE2L2 | HEXA 3816/4885HEXB 3849/4885CYP3A4 4677/4885 |
“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.