Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 4/20 | 0.41 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.36 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | TPH1 | P17752 | 3/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.32 |
| ▸ | KIF18A | Q8NI77 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20071863 | 0.88 | PTGER4 (0.39) | PTPN11PTGER4MAPK1PIK3C3HSD11B1 | |
| SCHEMBL21644381 | 0.82 | PTGER4 (0.33) | PTPN11PTGER4 | |
| SCHEMBL20071865 | 0.80 | PTGER4 (0.32) | PTPN11PTGER4HSD11B1CNR1TPH1 | |
| SCHEMBL21644403 | 0.79 | PTGER4 (0.32) | PTPN11PTGER4MAPK1HSD11B1TPH1 | |
| SCHEMBL23838140 | 0.78 | NR1H2 (0.42) | PTGER4CNR1 | |
| SCHEMBL20072195 | 0.78 | PTGER4 (0.44) | PTPN11PTGER4HSD11B1CNR1CDK4 | |
| SCHEMBL20072210 | 0.78 | ALDH1A1 (0.39) | HSD11B1 | |
| SCHEMBL23838054 | 0.77 | DYRK1A (0.33) | PTGER4MAPK1TPH1KIF18A | |
| SCHEMBL20074073 | 0.76 | HSD11B1 (0.36) | HSD11B1 | |
| SCHEMBL23838145 | 0.76 | NR1H2 (0.41) | PTGER4HSD11B1CNR1CNR2 |
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-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 |
| 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 |