Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 2/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | XBP1 | P17861 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9472225 | 0.89 | HPGD (0.50) | MAOBMAPTKMT2ARAB9AMEN1 | |
| SCHEMBL7716847 | 0.86 | LTA4H (0.53) | CES2CES1MAPTKMT2ARAB9A | |
| SCHEMBL1696183 | 0.85 | CES2 (0.62) | MAOBCES2CES1PTGS1MAPT | |
| SCHEMBL54677 | 0.85 | CES2 (0.62) | MAOBCES2CES1PTGS1MAPT | |
| Hydrochloric Acid SCHEMBL27523727 | 0.83 | CES2 (0.59) | MAOBCES2CES1PTGS1MAPT | |
| SCHEMBL2689876 | 0.82 | ESR1 (0.67) | MAPTKMT2ARAB9AMEN1HTT | |
| SCHEMBL8992898 | 0.82 | MAPT (0.57) | MAOBMAPTKMT2ARAB9ANPC1 | |
| SCHEMBL7938241 | 0.81 | MAOB (0.46) | MAOBCES2CES1PTGS1MAPT | |
| Acetic Acid SCHEMBL28372390 | 0.81 | CES2 (0.56) | MAOBCES2CES1PTGS1MAPT | |
| SCHEMBL3947712 | 0.80 | ESR1 (0.52) | MAPTKMT2ARAB9AMEN1NPC1 |
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 |