Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.33 |
| ▸ | FEN1 | P39748 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.31 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.30 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3553372 | 0.79 | LRRK2 (0.33) | MAPT | |
| SCHEMBL1558307 | 0.79 | MAPT (0.41) | ALOX5APFEN1MAPTNPSR1GAA | |
| SCHEMBL31703952 | 0.78 | — | — | |
| SCHEMBL9379161 | 0.78 | S1PR1 (0.37) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL26693926 | 0.78 | PLAU (0.39) | MAP4K4SMN1; SMN2 | |
| SCHEMBL16248212 | 0.78 | POLB (0.33) | — | |
| SCHEMBL29837826 | 0.78 | PLAU (0.39) | MAP4K4SMN1; SMN2 | |
| SCHEMBL16046248 | 0.76 | HPGD (0.38) | CDK1CDK2MAPTGAAHTT | |
| SCHEMBL789861 | 0.74 | HTT (0.39) | CDK1CCNB1CCNA2CDK2CCNA1 | |
| SCHEMBL7909807 | 0.74 | PTGS2 (0.39) | CDK1KMT2ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5929094-A | NOVEL 3-((SUBSTITUTED) HETEROCYCLE),6-(SUBSTITUTED PHENYL)-1-OXASPIRO(4.4)NONANE DERIVATIVES; ANTAGONIZING THE EFFECT OF SUBSTANCE P BY ADMINISTERING TO BLOCK NEUROKININ-1 RECEPTORS; TREATING INFLAMMATION, MIGRAINE, EMESIS AND ASTHMA | MERCK & CO., INC. (US) | 1999-07-27 | — | — | US | disclosed |
| WO-1998017276-A1 | HETEROARYL SPIROETHERCYCLOALKYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1998-04-30 | — | — | WO | disclosed |