Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.34 |
| ▸ | GBA1 | P04062 | 1/20 | 0.33 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.31 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.31 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.31 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.31 |
| ▸ | WNT1 | P04628 | 2/20 | 0.30 |
| ▸ | GSK3B | P49841 | 2/20 | 0.30 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14207964 | 1.00 | ESR1 (0.37) | ESR1ESR2PDE10AGBA1KCNQ3 | |
| SCHEMBL25540046 | 0.90 | ESR1 (0.34) | ESR1ESR2PDE10AKCNQ3KCNQ2 | |
| SCHEMBL25956536 | 0.90 | ESR1 (0.34) | ESR1ESR2PDE10AKCNQ3KCNQ2 | |
| SCHEMBL23206538 | 0.90 | ESR1 (0.34) | ESR1ESR2PDE10AKCNQ3KCNQ2 | |
| SCHEMBL25543154 | 0.82 | ESR1 (0.37) | ESR1ESR2TLR7WNT1GSK3B | |
| SCHEMBL24702322 | 0.81 | ESR1 (0.35) | ESR1ESR2PDE10AKCNQ3KCNQ2 | |
| SCHEMBL29339636 | 0.81 | ESR1 (0.35) | ESR1ESR2PDE10A | |
| SCHEMBL24702302 | 0.81 | ESR1 (0.35) | ESR1ESR2PDE10A | |
| SCHEMBL26512216 | 0.81 | ESR1 (0.35) | ESR1ESR2PDE10AKCNQ3KCNQ2 | |
| SCHEMBL12716623 | 0.79 | ESR1 (0.34) | ESR1ESR2PDE10ATLR7WNT1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023183585-A1 | KRAS INHIBITORS | ELI LILLY AND COMPANY (US) | 2023-09-28 | — | — | WO | disclosed |
| WO-2023086383-A1 | SELECT KRAS G12C INHIBITORS AND USES THEREOF | 1200 PHARMA LLC (US) | 2023-05-19 | — | — | WO | disclosed |
| WO-2021222483-A1 | METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS | GLOBAL BLOOD THERAPEUTICS, INC. (US) | 2021-11-04 | — | — | WO | disclosed |
| WO-2021222363-A1 | CYCLOALKYL PYRIMIDINES AS FERROPORTIN INHIBITORS | GLOBAL BLOOD THERAPEUTICS, INC. (US) | 2021-11-04 | — | — | WO | disclosed |