Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.41 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Propionaldehyde SCHEMBL27792856 | 0.87 | CHRM2 (0.44) | CHRM2CHRM1CHRM3KMT2APOLB | |
| M-Xylene SCHEMBL28139324 | 0.85 | ACHE (0.60) | ACHEKMT2AMAPTHPGDHTT | |
| Formamide SCHEMBL28270030 | 0.83 | ACHE (0.46) | ACHEKCNK3KCNK9MEN1KMT2A | |
| SCHEMBL29567354 | 0.82 | — | — | |
| SCHEMBL6202698 | 0.82 | — | — | |
| SCHEMBL12595 | 0.82 | — | — | |
| Formaldehyde SCHEMBL28097742 | 0.81 | ACHE (0.52) | ACHEKCNK3KCNK9MEN1KMT2A | |
| Methane SCHEMBL29230318 | 0.80 | — | — | |
| SCHEMBL187175 | 0.80 | — | — | |
| Bromide SCHEMBL28516239 | 0.80 | ACHE (0.58) | ACHEKCNK3KCNK9MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-107867969-A | A kind of method that 2,6-dichlorotoleune is prepared by ionic liquid-catalyzed ortho-chlorotolu'ene | 青岛九洲千和机械有限公司 | 2018-04-03 | — | — | CN | disclosed |