Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 13/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | ESRRG | P62508 | 5/20 | 0.51 |
| ▸ | ESRRB | O95718 | 3/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.49 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL12284881 | 0.88 | ESR1 (0.65) | ESR1CYP19A1ESR2NPC1POLB | |
| SCHEMBL12134458 | 0.86 | CYP19A1 (0.67) | ESR1CYP19A1ESR2ESRRGESRRB | |
| SCHEMBL8366276 | 0.80 | ESR1 (0.67) | ESR1CYP19A1ESR2ESRRGESRRB | |
| SCHEMBL8366275 | 0.80 | ESR1 (0.67) | ESR1CYP19A1ESR2ESRRGESRRB | |
| SCHEMBL9097507 | 0.80 | ESR1 (0.67) | ESR1CYP19A1ESR2ESRRGESRRB | |
| SCHEMBL12468690 | 0.78 | CYP19A1 (0.73) | ESR1CYP19A1ESR2ESRRGESRRB | |
| SCHEMBL8364894 | 0.78 | ESR1 (0.65) | ESR1CYP19A1ESR2ESRRGESRRB | |
| SCHEMBL8364891 | 0.78 | ESR1 (0.65) | ESR1CYP19A1ESR2ESRRGESRRB | |
| SCHEMBL641723 | 0.78 | CYP19A1 (0.73) | ESR1CYP19A1ESR2ESRRGESRRB | |
| SCHEMBL641722 | 0.78 | CYP19A1 (0.73) | ESR1CYP19A1ESR2ESRRGESRRB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011129837-A1 | USE OF A 4-HYDROXYTOREMIFENE PRODRUG FOR TREATMENT OF BREAST CANCER | OLEMA PHARMACEUTICALS, INC. (US) | 2011-10-20 | — | — | WO | disclosed |