Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
| ▸ | CCR8 | P51685 | 1/20 | 0.36 |
| ▸ | METAP1 | P53582 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.36 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Acetaldehyde SCHEMBL27271887 | 0.85 | GRM5 (0.42) | GRM5NPC1MEN1RAB9AKMT2A | |
| SCHEMBL28672321 | 0.83 | GRM5 (0.39) | GRM5NPC1MEN1RAB9AKMT2A | |
| SCHEMBL28151639 | 0.83 | GRM5 (0.41) | GRM5NPC1MEN1RAB9AKMT2A | |
| Formamide SCHEMBL27759772 | 0.83 | NOS3 (0.41) | GRM5NPC1MEN1RAB9AKMT2A | |
| Formic Acid SCHEMBL27263940 | 0.83 | ALDH1A1 (0.43) | GRM5NPC1MEN1RAB9AKMT2A | |
| SCHEMBL29472848 | 0.82 | — | — | |
| SCHEMBL29599136 | 0.82 | KDM4E (0.50) | GRM5NPC1MEN1RAB9AKMT2A | |
| SCHEMBL16322907 | 0.82 | KDM4E (0.50) | GRM5NPC1MEN1RAB9AKMT2A | |
| SCHEMBL2684 | 0.82 | — | — | |
| SCHEMBL4733426 | 0.82 | KDM4E (0.50) | GRM5NPC1MEN1RAB9AKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106478497-A | Aryl amine derivatives as TTX S blocker | 拉夸里亚创药株式会社 | 2017-03-08 | — | — | CN | disclosed |
| CN-103261156-B | For treating the noval chemical compound of neurodegenerative disease | 鲁汶天主教大学研究开发部 | 2016-12-28 | — | — | CN | disclosed |
| CN-103249721-B | Arylamine Derivatives as TTX-S Blockers | 拉夸里亚创药株式会社 | 2016-10-12 | — | — | CN | disclosed |
| CN-103261167-B | 6 of replacement, 6-condenses nitrogen-containing heterocycle compound and uses thereof | HOFFMAN-LA ROCHE LTD. (CH) | 2016-05-04 | — | — | CN | disclosed |