Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Afimoxifene. 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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 12/20 | 0.91 |
| ▸ | ESR2 known ✓ | Q92731 | 6/20 | 0.91 |
| ▸ | ESRRG known ✓ | P62508 | 4/20 | 0.91 |
| ▸ | ESRRB | O95718 | 5/20 | 0.91 |
| ▸ | MAPT | P10636 | 3/20 | 0.91 |
| ▸ | MEN1 | O00255 | 3/20 | 0.91 |
| ▸ | TP53 | P04637 | 3/20 | 0.91 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.91 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.91 |
| ▸ | PGR | P06401 | 2/20 | 0.91 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.91 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.91 |
| ▸ | LMNA | P02545 | 2/20 | 0.91 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.91 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.91 |
| ▸ | PLD2 | O14939 | 1/20 | 0.91 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.91 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.81 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.81 |
| ▸ | NPC1 | O15118 | 1/20 | 0.81 |
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 | |
|---|---|---|---|---|
| Afimoxifene SCHEMBL7649812 | 1.00 | ESR1 (0.91) | ESR1ESR2ESRRBESRRGMAPT | |
| Tamoxifen SCHEMBL2412102 | 0.95 | ESR1 (0.90) | ESR1ESR2ESRRBESRRGMAPT | |
| Afimoxifene SCHEMBL640496 | 0.95 | ESR1 (1.00) | ESR1ESR2ESRRBESRRGMAPT | |
| Afimoxifene SCHEMBL9189 | 0.95 | ESR1 (1.00) | ESR1ESR2ESRRBESRRGMAPT | |
| Tamoxifen SCHEMBL2412107 | 0.95 | ESR1 (0.90) | ESR1ESR2ESRRBESRRGMAPT | |
| SCHEMBL15668666 | 0.95 | ESR1 (1.00) | ESR1ESR2ESRRBESRRGMAPT | |
| Afimoxifene SCHEMBL2132301 | 0.95 | ESR1 (1.00) | ESR1ESR2ESRRBESRRGMAPT | |
| SCHEMBL2165503 | 0.95 | ESR1 (1.00) | ESR1ESR2ESRRBESRRGMAPT | |
| Tamoxifen SCHEMBL11899365 | 0.94 | ESR1 (0.97) | ESR1ESR2ESRRBESRRGMAPT | |
| Tamoxifen SCHEMBL9121934 | 0.93 | ESR1 (0.95) | ESR1ESR2ESRRBESRRGMAPT |
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-6489481-B1 | COMPOUNDS USED FOR TREATMENT AND/OR PREVENTION OF NEURONAL APOPTOSIS AND/OR EXCITOTOXICITY RELATED NEUROLOGICAL DISORDERS | ASTRAZENECA AB (SE) | 2002-12-03 | — | — | US | disclosed |