Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CKS1B | P61024 | 1/20 | 0.35 |
| ▸ | SKP1 | P63208 | 1/20 | 0.35 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ADK | P55263 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.32 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL18779303 | 0.73 | ALDH1A1 (0.46) | CKS1BSKP1SKP2MAPTADORA2A | |
| SCHEMBL17111687 | 0.73 | ALDH1A1 (0.46) | MAPTKMT2ACYP1A2HPGDHTT | |
| SCHEMBL18779357 | 0.72 | CYP1A2 (0.40) | MAPTMEN1KMT2AADORA2AADORA1 | |
| SCHEMBL18792160 | 0.72 | DPP4 (0.45) | MAPTL3MBTL1MEN1KMT2AADORA2A | |
| SCHEMBL17111581 | 0.72 | PTGS2 (0.40) | MAPTL3MBTL1ADORA2AADORA1HPGD | |
| SCHEMBL17110527 | 0.69 | CKS1B (0.38) | CKS1BSKP1SKP2MAPTADK | |
| SCHEMBL16585346 | 0.68 | MAPT (0.54) | CKS1BSKP1SKP2MAPTL3MBTL1 | |
| Hydrochloric Acid SCHEMBL16585666 | 0.67 | MAPT (0.53) | CKS1BSKP1SKP2MAPTL3MBTL1 | |
| SCHEMBL17111663 | 0.67 | SRC (0.40) | MAPTMEN1KMT2AADORA2AADORA1 | |
| SCHEMBL17111479 | 0.67 | NTRK1 (0.40) | MAPTMEN1KMT2AADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3122346-B1 | TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF | MERCK SHARP & DOHME (US) | 2020-07-15 | — | — | EP | disclosed |