Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Spironolactone. 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 | |
|---|---|---|---|---|
| ▸ | NR3C2 known ✓ | P08235 | 3/20 | 1.00 |
| ▸ | NR3C1 | P04150 | 4/20 | 1.00 |
| ▸ | PGR | P06401 | 4/20 | 1.00 |
| ▸ | LMNA | P02545 | 3/20 | 1.00 |
| ▸ | AR | P10275 | 3/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 2/20 | 1.00 |
| ▸ | CHRM2 | P08172 | 2/20 | 1.00 |
| ▸ | OPRK1 | P41145 | 2/20 | 1.00 |
| ▸ | NFKB1 | P19838 | 1/20 | 1.00 |
| ▸ | HIF1A | Q16665 | 1/20 | 1.00 |
| ▸ | ABCB11 | O95342 | 1/20 | 1.00 |
| ▸ | ESR1 | P03372 | 1/20 | 1.00 |
| ▸ | ABCB1 | P08183 | 1/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 1/20 | 1.00 |
| ▸ | ADRA1A | P35348 | 1/20 | 1.00 |
| ▸ | HTR2B | P41595 | 1/20 | 1.00 |
| ▸ | ESR2 | Q92731 | 1/20 | 1.00 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 1.00 |
| ▸ | RAB9A | P51151 | 1/20 | 1.00 |
| ▸ | MAPT | P10636 | 1/20 | 1.00 |
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 | |
|---|---|---|---|---|
| Spironolactone SCHEMBL8846617 | 1.00 | NR3C1 (1.00) | NR3C1PGRLMNANR3C2AR | |
| Spironolactone SCHEMBL8236557 | 1.00 | NR3C1 (1.00) | NR3C1PGRLMNANR3C2AR | |
| Spironolactone SCHEMBL8445325 | 1.00 | NR3C1 (1.00) | NR3C1PGRLMNANR3C2AR | |
| Spironolactone SCHEMBL8014068 | 1.00 | NR3C1 (1.00) | NR3C1PGRLMNANR3C2AR | |
| Spironolactone SCHEMBL1172820 | 1.00 | NR3C1 (1.00) | NR3C1PGRLMNANR3C2AR | |
| Spironolactone SCHEMBL9192368 | 1.00 | NR3C1 (1.00) | NR3C1PGRLMNANR3C2AR | |
| Spironolactone SCHEMBL14933688 | 1.00 | NR3C1 (1.00) | NR3C1PGRLMNANR3C2AR | |
| Spironolactone SCHEMBL18218177 | 1.00 | NR3C1 (1.00) | NR3C1PGRLMNANR3C2AR | |
| Spironolactone SCHEMBL21281412 | 1.00 | NR3C1 (1.00) | NR3C1PGRLMNANR3C2AR | |
| Spironolactone SCHEMBL21291516 | 1.00 | NR3C1 (1.00) | NR3C1PGRLMNANR3C2AR |
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-20160324874-A1 | RETINOID X RECEPTOR-GAMMA AGONISTS AND RETINOID X RECEPTOR-ALPHA ANTAGONISTS FOR TREATMENT OF CANCER | ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) | 2016-11-10 | — | — | 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-20160324874-A1 | RETINOID X RECEPTOR-GAMMA AGONISTS AND RETINOID X RECEPTOR-ALPHA ANTAGONISTS FOR TREATMENT OF CANCER | RXRG, RXRA, RXRB | NR3C2 364/4885NR3C1 287/4885PGR 143/4885 |
“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.