Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Exemestane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 known ✓ | P11511 | 18/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 1.00 |
| ▸ | ABCB11 | O95342 | 1/20 | 1.00 |
| ▸ | NR3C1 | P04150 | 1/20 | 1.00 |
| ▸ | PGR | P06401 | 1/20 | 1.00 |
| ▸ | HTR2A | P28223 | 1/20 | 1.00 |
| ▸ | OPRK1 | P41145 | 1/20 | 1.00 |
| ▸ | HTR2B | P41595 | 1/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| Exemestane SCHEMBL178041 | 1.00 | CYP19A1 (1.00) | CYP19A1KDM4EALDH1A1ABCB11NR3C1 | |
| Exemestane SCHEMBL172893 | 1.00 | CYP19A1 (1.00) | CYP19A1KDM4EALDH1A1ABCB11NR3C1 | |
| Exemestane SCHEMBL2233503 | 1.00 | CYP19A1 (1.00) | CYP19A1KDM4EALDH1A1ABCB11NR3C1 | |
| Exemestane SCHEMBL19452231 | 1.00 | CYP19A1 (1.00) | CYP19A1KDM4EALDH1A1ABCB11NR3C1 | |
| Exemestane SCHEMBL6730580 | 1.00 | CYP19A1 (1.00) | CYP19A1KDM4EALDH1A1ABCB11NR3C1 | |
| Exemestane SCHEMBL13794245 | 1.00 | CYP19A1 (1.00) | CYP19A1KDM4EALDH1A1ABCB11NR3C1 | |
| Exemestane SCHEMBL6215 | 1.00 | CYP19A1 (1.00) | CYP19A1KDM4EALDH1A1ABCB11NR3C1 | |
| Exemestane SCHEMBL1781618 | 1.00 | CYP19A1 (1.00) | CYP19A1KDM4EALDH1A1ABCB11NR3C1 | |
| Exemestane SCHEMBL172860 | 1.00 | CYP19A1 (1.00) | CYP19A1KDM4EALDH1A1ABCB11NR3C1 | |
| SCHEMBL13301017 | 0.92 | CYP19A1 (0.84) | CYP19A1KDM4EALDH1A1ABCB11NR3C1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3702783-A1 | METHODS FOR DETERMINING CELLS SUCH AS CIRCULATING CANCER OR FETAL CELLS | Analiza, Inc. (US) | 2020-09-02 | — | — | EP | disclosed |
| EP-3080341-B1 | METHODS FOR DETERMINING AND/OR ISOLATING CELLS SUCH AS CIRCULATING CANCER OR FETAL CELLS | ANALIZA INC (US) | 2020-02-12 | — | — | EP | disclosed |