Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Valspodar. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 known ✓ | P08183 | 14/20 | 1.00 |
| ▸ | ABCC1 | P33527 | 2/20 | 1.00 |
| ▸ | ABCC2 | Q92887 | 2/20 | 1.00 |
| ▸ | PPIA | P62937 | 4/20 | 0.69 |
| ▸ | PPP3CA | Q08209 | 3/20 | 0.69 |
| ▸ | FKBP1B | P68106 | 2/20 | 0.69 |
| ▸ | MEN1 | O00255 | 1/20 | 0.69 |
| ▸ | NPC1 | O15118 | 1/20 | 0.69 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.69 |
| ▸ | GMNN | O75496 | 1/20 | 0.69 |
| ▸ | USP2 | O75604 | 1/20 | 0.69 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.69 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.69 |
| ▸ | LMNA | P02545 | 1/20 | 0.69 |
| ▸ | POLB | P06746 | 1/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | MAPT | P10636 | 1/20 | 0.69 |
| ▸ | RARB | P10826 | 1/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.69 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.69 |
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 | |
|---|---|---|---|---|
| Valspodar SCHEMBL19499881 | 1.00 | ABCB1 (1.00) | ABCB1ABCC1ABCC2PPIAPPP3CA | |
| Valspodar SCHEMBL17879 | 1.00 | ABCB1 (1.00) | ABCB1ABCC1ABCC2PPIAPPP3CA | |
| Valspodar SCHEMBL19639132 | 1.00 | ABCB1 (1.00) | ABCB1ABCC1ABCC2PPIAPPP3CA | |
| Valspodar SCHEMBL18671913 | 1.00 | ABCB1 (1.00) | ABCB1ABCC1ABCC2PPIAPPP3CA | |
| Valspodar SCHEMBL21118455 | 1.00 | ABCB1 (1.00) | ABCB1ABCC1ABCC2PPIAPPP3CA | |
| Valspodar SCHEMBL24062361 | 1.00 | ABCB1 (1.00) | ABCB1ABCC1ABCC2PPIAPPP3CA | |
| SCHEMBL29307747 | 0.97 | ABCB1 (0.95) | ABCB1ABCC1ABCC2PPIAPPP3CA | |
| SCHEMBL22882366 | 0.96 | ABCB1 (0.92) | ABCB1ABCC1ABCC2PPIAPPP3CA | |
| SCHEMBL25087720 | 0.96 | ABCB1 (0.92) | ABCB1ABCC1ABCC2PPIAPPP3CA | |
| SCHEMBL24406589 | 0.95 | ABCB1 (0.91) | ABCB1ABCC1ABCC2PPIAPPP3CA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200030442-A1 | COMBINATION THERAPIES | CAO ZHU ALEXANDER (US) | 2020-01-30 | — | — | US | disclosed |
| US-20170340733-A1 | COMBINATION THERAPIES | NOVARTIS AG (CH) | 2017-11-30 | — | — | 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 (2 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-20200030442-A1 | COMBINATION THERAPIES | BRCA1, TP53, VHL | ABCB1 245/4885ABCC1 338/4885ABCC2 1514/4885 |
| US-20170340733-A1 | COMBINATION THERAPIES | BRCA1, TP53, VHL | ABCB1 245/4885ABCC1 338/4885ABCC2 1514/4885 |
“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.