Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.59 |
| ▸ | MAOB | P27338 | 1/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | CES1 | P23141 | 1/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | ALPG | P10696 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1696183 | 0.93 | CES2 (0.62) | MAOBCES2CES1PTGS1NPC1 | |
| SCHEMBL54677 | 0.93 | CES2 (0.62) | MAOBCES2CES1PTGS1NPC1 | |
| Hydrochloric Acid SCHEMBL27523727 | 0.90 | CES2 (0.59) | MAOBCES2CES1PTGS1NPC1 | |
| Acetic Acid SCHEMBL28372390 | 0.88 | CES2 (0.56) | MAOBCES2CES1PTGS1NPC1 | |
| SCHEMBL238259 | 0.87 | LTA4H (0.73) | LTA4HCES2CES1NPC1ALDH1A1 | |
| SCHEMBL8572071 | 0.87 | LTA4H (0.73) | LTA4HCES2CES1NPC1ALDH1A1 | |
| SCHEMBL131397 | 0.87 | LMNA (0.60) | NPC1ALDH1A1RAB9ALMNAHPGD | |
| SCHEMBL1736339 | 0.87 | LTA4H (0.73) | LTA4HCES2CES1NPC1ALDH1A1 | |
| Boric Acid SCHEMBL29051484 | 0.86 | MAOB (0.55) | MAOBCES2CES1PTGS1NPC1 | |
| SCHEMBL4448294 | 0.86 | SMN1; SMN2 (0.64) | MAOBCES2CES1PTGS1ALDH1A1 |
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 |