Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 3/20 | 0.44 |
| ▸ | CES1 | P23141 | 3/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | METTL3 | Q86U44 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7771918 | 0.83 | ESR1 (0.48) | ESR1CES2CES1PTGS2TSHR | |
| SCHEMBL1035354 | 0.82 | ESR1 (0.56) | ESR1CES2CES1PTGS2TSHR | |
| SCHEMBL11844374 | 0.82 | ESR1 (0.56) | ESR1CES2CES1PTGS2TSHR | |
| SCHEMBL3902058 | 0.82 | ESR1 (0.56) | ESR1CES2CES1PTGS2TSHR | |
| SCHEMBL23278527 | 0.79 | ESR1 (0.61) | ESR1CES2CES1PTGS2TSHR | |
| SCHEMBL6932655 | 0.78 | ESR1 (0.48) | ESR1CES2CES1PTGS2TSHR | |
| SCHEMBL16933873 | 0.78 | CES2 (0.44) | ESR1CES2CES1TSHRALDH1A1 | |
| SCHEMBL28858511 | 0.78 | CES2 (0.44) | ESR1CES2CES1TSHRALDH1A1 | |
| SCHEMBL10678263 | 0.77 | — | — | |
| SCHEMBL8676275 | 0.77 | ESR1 (0.58) | ESR1CES2CES1PTGS2TSHR |
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-2017134555-A1 | DERIVATIVES OF PYRROLOIMIDAZOLE OR ANALOGUES THEREOF WHICH ARE USEFUL FOR THE TREATMENT OF INTER ALIA CANCER | EMCURE PHARMACEUTICALS LIMITED (IN) | 2017-08-10 | — | — | WO | disclosed |