Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL9493916 | 0.79 | CES2 (0.56) | CES2CES1ALDH1A1POLBLMNA | |
| SCHEMBL675024 | 0.77 | CES2 (0.54) | CES2CES1ALDH1A1POLBLMNA | |
| SCHEMBL29444187 | 0.77 | CES2 (0.54) | CES2CES1ALDH1A1POLBLMNA | |
| SCHEMBL2270560 | 0.75 | CES2 (0.52) | CES2CES1ALDH1A1POLBLMNA | |
| SCHEMBL2325272 | 0.75 | CES2 (0.65) | CES2CES1ALDH1A1POLBTSHR | |
| SCHEMBL1028918 | 0.75 | CES2 (0.52) | CES2CES1ALDH1A1POLBLMNA | |
| SCHEMBL8444340 | 0.75 | CES2 (0.46) | CES2CES1ALDH1A1POLBLMNA | |
| SCHEMBL2349523 | 0.73 | CES2 (0.50) | CES2CES1ALDH1A1POLBLMNA | |
| SCHEMBL28565913 | 0.73 | CES2 (0.50) | CES2CES1ALDH1A1POLBLMNA | |
| SCHEMBL4416667 | 0.73 | CES2 (0.62) | CES2CES1ALDH1A1POLBLMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996036634-A1 | OXIRANYL-HYDROXYETHYL TRIAZOLES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-11-21 | — | — | WO | disclosed |
| WO-1996036635-A1 | OXIRANYL-TRIAZOLES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-11-21 | — | — | WO | disclosed |