Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPX4 | P36969 | 2/20 | 0.67 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.44 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CMA1 | P23946 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19041944 | 0.94 | GPX4 (0.75) | GPX4TXNRD1GPR52SLC22A12SMN1; SMN2 | |
| SCHEMBL19036321 | 0.94 | GPX4 (0.75) | GPX4TXNRD1GPR52SLC22A12SMN1; SMN2 | |
| SCHEMBL19036355 | 0.86 | GPX4 (0.89) | GPX4TXNRD1GPR52KMT2A | |
| SCHEMBL19036383 | 0.86 | GPX4 (0.89) | GPX4TXNRD1GPR52KMT2A | |
| SCHEMBL19036361 | 0.84 | GPX4 (0.67) | GPX4TXNRD1GPR52SMN1; SMN2ALDH1A1 | |
| SCHEMBL19036377 | 0.81 | GPX4 (0.62) | GPX4TXNRD1GPR52ALDH1A1KMT2A | |
| SCHEMBL19036366 | 0.80 | GPX4 (0.76) | GPX4TXNRD1GPR52 | |
| SCHEMBL19036272 | 0.80 | GPX4 (1.00) | GPX4TXNRD1GPR52KMT2A | |
| SCHEMBL19042014 | 0.80 | GPX4 (1.00) | GPX4TXNRD1GPR52KMT2A | |
| SCHEMBL19036298 | 0.80 | GPX4 (1.00) | GPX4TXNRD1GPR52KMT2A |
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-20170182001-A1 | NOVEL SESQUITERPENE DERIVATIVES AND THEIR USE IN INFLAMMATION OR CANCER TREATMENT | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL | 2017-06-29 | — | — | 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-20170182001-A1 | NOVEL SESQUITERPENE DERIVATIVES AND THEIR USE IN INFLAMMATION OR CANCER TREATMENT | GSTK1, MIF, GSTA1 | GPX4 242/4885TXNRD1 312/4885GPR52 661/4885 |
“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.