Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29364600 | 0.92 | — | — | |
| SCHEMBL60953 | 0.92 | — | — | |
| Lithium SCHEMBL31408703 | 0.90 | ACHE (0.57) | ACHECES2BCHECES1CYP1A2 | |
| Benzene SCHEMBL29259491 | 0.90 | ACHE (0.57) | ACHECES2BCHECES1CYP1A2 | |
| SCHEMBL28794353 | 0.87 | ACHE (0.55) | ACHECES2BCHECES1CYP1A2 | |
| SCHEMBL16859739 | 0.85 | ACHE (0.75) | ACHECES2BCHECES1CYP1A2 | |
| SCHEMBL254224 | 0.84 | — | — | |
| SCHEMBL29364070 | 0.81 | — | — | |
| SCHEMBL129712 | 0.81 | — | — | |
| SCHEMBL31057538 | 0.79 | ACHE (0.57) | ACHECES2CES1CYP1A2CYP2A6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0285324-B1 | PREPARATION OF SUBSTITUTED FLUOROBENZENES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-11-27 | — | — | EP | disclosed |