Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11067848 | 0.87 | ALDH1A1 (0.44) | CES2CES1AKR1B1ALDH1A1LMNA | |
| SCHEMBL7329972 | 0.81 | ALDH1A1 (0.51) | CES2CES1AKR1B1ALDH1A1MEN1 | |
| SCHEMBL667371 | 0.81 | ALDH1A1 (0.53) | ALDH1A1LMNAPOLBKDM4EHDAC8 | |
| Methyl Phenylpyruvate SCHEMBL237446 | 0.80 | CES2 (0.64) | CES2CES1AKR1B1ALDH1A1LMNA | |
| Methyl Phenylpyruvate SCHEMBL27849227 | 0.78 | CES2 (0.61) | CES2CES1AKR1B1ALDH1A1LMNA | |
| SCHEMBL6723396 | 0.77 | CES1 (0.58) | CES2CES1AKR1B1ALDH1A1LMNA | |
| SCHEMBL28118587 | 0.77 | CES2 (0.48) | CES2CES1AKR1B1ALDH1A1LMNA | |
| SCHEMBL1666500 | 0.77 | CES2 (0.48) | CES2CES1AKR1B1ALDH1A1LMNA | |
| SCHEMBL28727350 | 0.76 | HPGD (0.60) | CES2CES1AKR1B1ALDH1A1LMNA | |
| Methyl Phenylpyruvate SCHEMBL7622542 | 0.76 | CES2 (0.57) | CES2CES1AKR1B1ALDH1A1LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021042814-A1 | ALKYL THIOETHER ETHYL HYDROXIMIC ACID BENEFICIATION AGENT, PREPARATION METHOD THEREFOR AND USE THEREOF | 中南大学 | 2021-03-11 | — | — | WO | disclosed |
| US-5744426-A | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1998-04-28 | — | — | US | disclosed |
| EP-0763025-A1 | SUBSTITUTED 3-PHENYLPYRAZOLES AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1997-03-19 | — | — | EP | disclosed |