Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 15/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 5/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30358862 | 1.00 | PDE4B (0.43) | PDE4BPDE3APTGS1PTGS2KDM4E | |
| SCHEMBL31525806 | 0.84 | KDM4E (0.33) | PDE4BPDE3APTGS1PTGS2KDM4E | |
| SCHEMBL31525713 | 0.81 | HSD11B1 (0.40) | PDE4BPTGS1PTGS2KDM4ENPSR1 | |
| SCHEMBL31510270 | 0.80 | PTGS1 (0.39) | PDE4BPTGS1PTGS2HPGDHTT | |
| SCHEMBL131985 | 0.79 | ADORA2A (0.36) | KDM4ELMNAKMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL30828981 | 0.79 | ADORA2A (0.36) | KDM4ELMNAKMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL20869211 | 0.78 | PDE4B (0.48) | PDE4BPDE3APTGS1PTGS2KDM4E | |
| SCHEMBL31525694 | 0.77 | KDM4E (0.33) | PDE4BPTGS1PTGS2KDM4EHPGD | |
| SCHEMBL15201463 | 0.77 | ULK1 (0.39) | PDE4BPDE3APTGS1PTGS2KDM4E | |
| SCHEMBL31010990 | 0.77 | PDE4B (0.45) | PDE4BPDE3APTGS1PTGS2KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117651699-A | Compounds and compositions for the treatment of coronavirus related diseases | 诺华股份有限公司 | 2024-03-05 | — | — | CN | disclosed |
| US-6225320-B1 | TREATMENT OF PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTTHERPETIC NEURALGIA | MERCK SHARP & DOHME LTD. (GB) | 2001-05-01 | — | — | US | disclosed |
| EP-0989987-A1 | SPIRO-AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2000-04-05 | — | — | EP | disclosed |
| WO-1998054187-A1 | SPIRO-AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 1998-12-03 | — | — | WO | disclosed |