Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | GBA1 | P04062 | 3/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.37 |
| ▸ | HTR3A | P46098 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.36 |
| ▸ | EP300 | Q09472 | 2/20 | 0.35 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.34 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.34 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.34 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16394631 | 0.82 | TDP1 (0.42) | TDP1GBA1SLC6A2SLC6A4HTR3A | |
| Hydrochloric Acid SCHEMBL27035712 | 0.82 | TDP1 (0.47) | TDP1GBA1SLC6A2SLC6A4HTR3A | |
| SCHEMBL5112018 | 0.82 | SLC6A4 (0.39) | TDP1GBA1SLC6A2SLC6A4HTR3A | |
| SCHEMBL7018318 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL25373369 | 0.80 | TDP1 (0.40) | TDP1GBA1SLC6A2SLC6A4HTR3A | |
| SCHEMBL7512016 | 0.80 | TDP1 (0.36) | TDP1GBA1SLC6A2SLC6A4HTR3A | |
| Hydrochloric Acid SCHEMBL796426 | 0.80 | TDP1 (0.46) | TDP1GBA1SLC6A2SLC6A4HTR3A | |
| SCHEMBL91544 | 0.76 | TDP1 (0.43) | TDP1GBA1SLC6A2SLC6A4HTR3A | |
| SCHEMBL27166390 | 0.76 | TDP1 (0.39) | TDP1GBA1SLC6A2SLC6A4HTR3A | |
| SCHEMBL13757763 | 0.75 | CTSL (0.41) | GBA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018071313-A1 | N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2018-04-19 | — | — | WO | disclosed |
| WO-2018068297-A1 | N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR β AGONISTS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2018-04-19 | — | — | WO | disclosed |