Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | KDM4A | O75164 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9330040 | 0.98 | MEN1 (0.40) | MEN1TP53CYP1A2CYP2D6MAPT | |
| Bromide SCHEMBL9330798 | 0.98 | CHRM2 (0.41) | MEN1TP53CYP1A2CYP2D6MAPT | |
| SCHEMBL9835086 | 0.93 | CHRM2 (0.44) | MEN1TP53CYP1A2CYP2D6MAPT | |
| Bromide SCHEMBL9330832 | 0.92 | CHRM2 (0.46) | MEN1TP53CYP1A2CYP2D6MAPT | |
| Hydrochloric Acid SCHEMBL262539 | 0.92 | CHRM2 (0.43) | MEN1TP53CYP1A2CYP2D6MAPT | |
| SCHEMBL1815516 | 0.76 | CNR2 (0.46) | NPC1RAB9AKCNH2 | |
| SCHEMBL12677177 | 0.76 | CNR2 (0.46) | NPC1RAB9AKCNH2 | |
| SCHEMBL7063921 | 0.75 | CHRM2 (0.55) | MEN1TP53CYP1A2CYP2D6MAPT | |
| SCHEMBL1459455 | 0.74 | EGFR (0.44) | CHRM2CHRM1CHRM4CHRM5CHRM3 | |
| SCHEMBL12304298 | 0.73 | CNR2 (0.44) | INSRKCNH2 |
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-0252964-B1 | CATALYTIC METHOD FOR PRODUCING FLUOROAROMATIC COMPOUNDS USING SUBSTITUTED PYRIDINIUM SALTS | MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) | 1991-08-21 | — | — | EP | claimed |