Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MC4R | P32245 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | MC3R | P41968 | 1/20 | 0.46 |
| ▸ | PIM1 | P11309 | 2/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.44 |
| ▸ | CDK8 | P49336 | 2/20 | 0.44 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.44 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.44 |
| ▸ | PAK4 | O96013 | 1/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | RET | P07949 | 1/20 | 0.44 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.44 |
| ▸ | PRKACA | P17612 | 1/20 | 0.44 |
| ▸ | FLT1 | P17948 | 1/20 | 0.44 |
| ▸ | LTK | P29376 | 1/20 | 0.44 |
| ▸ | GRK5 | P34947 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3282791 | 0.85 | ADORA3 (0.46) | ADORA3TSHRMC4RADRA1AMC3R | |
| SCHEMBL2881764 | 0.83 | MGAM (0.58) | TSHRMAP4K4TDP1KDM4EMGAM | |
| SCHEMBL18911366 | 0.76 | ADORA3 (0.48) | ADORA3TSHRMC4RADRA1AMC3R | |
| SCHEMBL29540332 | 0.75 | MGAM (0.68) | TSHRPIM1KDM4EMGAMALDH1A1 | |
| SCHEMBL367913 | 0.75 | MGAM (0.68) | TSHRPIM1KDM4EMGAMALDH1A1 | |
| Pyridine SCHEMBL28685645 | 0.74 | MGAM (0.61) | TSHRPIM1KDM4EMGAMALDH1A1 | |
| SCHEMBL18328026 | 0.74 | ALDH1A1 (0.41) | TSHRTDP1KDM4EALDH1A1GAA | |
| Hydrochloric Acid SCHEMBL3400880 | 0.73 | MGAM (0.66) | TSHRPIM1TDP1KDM4EMGAM | |
| SCHEMBL31434313 | 0.73 | MGAM (0.66) | TSHRPIM1TDP1KDM4EMGAM | |
| SCHEMBL5788456 | 0.73 | MGAM (0.66) | TSHRPIM1TDP1KDM4EMGAM |
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 |
|---|---|---|---|---|---|---|---|
| EP-3185865-A1 | TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE | Merck Sharp & Dohme Corp. (US) | 2017-07-05 | — | — | EP | disclosed |
| WO-2016032921-A1 | TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2016-03-03 | — | — | WO | disclosed |