Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | LIPE | Q05469 | 5/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MGLL | Q99685 | 2/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17978906 | 0.77 | HRH3 (0.40) | SCN9ALIPENPC1LMNAMAPT | |
| SCHEMBL14979618 | 0.69 | CYP1A2 (0.43) | LIPEDGAT1HCRTR1HCRTR2CHRNA7 | |
| SCHEMBL486202 | 0.68 | ALDH1A1 (0.52) | DGAT1NPC1LMNAMAPTRAB9A | |
| SCHEMBL29257112 | 0.68 | KDM4E (0.41) | DGAT1NPC1RAB9AATMSMN1; SMN2 | |
| SCHEMBL24185272 | 0.68 | HPGD (0.54) | POLBMGLLLMNAL3MBTL1JAK2 | |
| SCHEMBL17082348 | 0.68 | CHRNA7 (0.41) | LIPEDGAT1NPC1LMNAMAPT | |
| SCHEMBL17082355 | 0.68 | DGAT1 (0.41) | LIPEDGAT1KDM4EHCRTR1HCRTR2 | |
| SCHEMBL2899777 | 0.67 | KDM4E (0.46) | DGAT1NPC1MAPTRAB9AKDM4E | |
| SCHEMBL2414089 | 0.67 | KDM4E (0.46) | DGAT1NPC1MAPTRAB9AKDM4E | |
| SCHEMBL15525341 | 0.67 | DGAT1 (0.57) | DGAT1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016206101-A1 | METALLO-BETA-LACTAMASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-12-29 | — | — | WO | disclosed |