Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31408656 | 0.91 | ACHE (0.42) | NFE2L2ACHECES2CES1NPC1 | |
| SCHEMBL776053 | 0.91 | ACHE (0.42) | NFE2L2ACHECES2CES1NPC1 | |
| SCHEMBL776449 | 0.89 | NFE2L2 (0.42) | NFE2L2ACHECES2CES1NPC1 | |
| SCHEMBL776470 | 0.82 | NFE2L2 (0.41) | NFE2L2ACHENPC1RAB9AALDH1A1 | |
| SCHEMBL11980108 | 0.82 | NFE2L2 (0.41) | NFE2L2ACHENPC1RAB9AALDH1A1 | |
| SCHEMBL776183 | 0.82 | CA1 (0.38) | NFE2L2ACHECES2CES1TAAR1 | |
| SCHEMBL28380385 | 0.78 | MAOA (0.44) | NFE2L2MEN1ALDH1A1KMT2ACYP2A6 | |
| SCHEMBL7938438 | 0.75 | ACHE (0.38) | NFE2L2ACHECES2CES1HTR2A | |
| SCHEMBL20048774 | 0.74 | ACHE (0.39) | NFE2L2ACHECES2CES1NPC1 | |
| SCHEMBL18331412 | 0.74 | ACHE (0.39) | NFE2L2ACHECES2CES1NPC1 |
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 |