Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.59 |
| ▸ | CES2 | O00748 | 3/20 | 0.58 |
| ▸ | CES1 | P23141 | 3/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.44 |
| ▸ | FEN1 | P39748 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ALB | P02768 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10448747 | 0.85 | ALDH1A1 (0.57) | ALDH1A1ALOX15CES2CES1GAA | |
| SCHEMBL29668746 | 0.80 | CES1 (0.60) | ALDH1A1ALOX15CES2CES1GAA | |
| SCHEMBL361933 | 0.80 | CES1 (0.60) | ALDH1A1ALOX15CES2CES1GAA | |
| SCHEMBL855691 | 0.78 | CES2 (0.58) | ALDH1A1ALOX15CES2CES1GAA | |
| SCHEMBL27427962 | 0.77 | ALDH1A1 (0.48) | ALDH1A1ALOX15CES2CES1GAA | |
| SCHEMBL9639015 | 0.77 | ALDH1A1 (0.40) | ALDH1A1ALOX15CES2CES1GAA | |
| SCHEMBL11254948 | 0.77 | CES2 (0.56) | ALDH1A1ALOX15CES2CES1GAA | |
| SCHEMBL31084162 | 0.77 | CES2 (0.56) | ALDH1A1ALOX15CES2CES1GAA | |
| SCHEMBL28520919 | 0.77 | CES1 (0.56) | ALDH1A1ALOX15CES2CES1GAA | |
| SCHEMBL6026032 | 0.77 | CES2 (0.56) | ALDH1A1ALOX15CES2CES1GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-6242654-B1 | REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND | MITSUI CHEMICALS, INC. (JP) | 2001-06-05 | — | — | US | disclosed |
| EP-1013629-A1 | Preparation process of fluorine subsituted aromatic compound | Mitsui Chemicals, Inc. (JP) | 2000-06-28 | — | — | EP | disclosed |