Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PAM | P19021 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23214330 | 0.81 | CES1 (0.44) | CES2CES1AKR1B1TP53TSHR | |
| SCHEMBL7721044 | 0.81 | CES1 (0.44) | CES2CES1AKR1B1TP53TSHR | |
| SCHEMBL20006789 | 0.77 | ALDH1A1 (0.48) | AKR1B1TSHRALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL1071378 | 0.75 | CES2 (0.43) | CES2CES1AKR1B1TP53TSHR | |
| SCHEMBL7720093 | 0.74 | TSHR (0.46) | CES2CES1AKR1B1TSHRALDH1A1 | |
| SCHEMBL5002822 | 0.73 | CES2 (0.41) | CES2CES1AKR1B1TP53TSHR | |
| SCHEMBL21157019 | 0.71 | ALDH1A1 (0.38) | CES2CES1AKR1B1TSHRALDH1A1 | |
| SCHEMBL800101 | 0.71 | CYP3A4 (0.59) | CES2CES1AKR1B1TSHRALDH1A1 | |
| SCHEMBL15302279 | 0.71 | CES1 (0.39) | CES2CES1AKR1B1TP53TSHR | |
| SCHEMBL7336694 | 0.71 | CYP3A4 (0.59) | CES2CES1AKR1B1TSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1188732-A2 | Combinatorial synthesis of a chemical library involving the separation of a zwitterionic compound by precipitation | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-20 | — | — | EP | disclosed |