Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 5/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | AGXT | P21549 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3274573 | 0.89 | NFE2L2 (0.57) | TRPA1NFE2L2KMT2ARAB9A | |
| SCHEMBL16178490 | 0.89 | MAPT (0.49) | TRPA1KMT2ANPC1RAB9A | |
| SCHEMBL8210813 | 0.89 | NFE2L2 (0.52) | TRPA1IDO1LOXL2NFE2L2KMT2A | |
| SCHEMBL654153 | 0.89 | NFE2L2 (0.52) | TRPA1NFE2L2KMT2AMAOB | |
| SCHEMBL5557951 | 0.85 | L3MBTL1 (0.41) | TRPA1IDO1LOXL2KMT2ANPC1 | |
| SCHEMBL16225102 | 0.84 | LMNA (0.44) | TRPA1KMT2AHSD11B1NPC1RAB9A | |
| SCHEMBL5360664 | 0.84 | NFE2L2 (0.61) | NFE2L2KMT2AMAOAMAOB | |
| SCHEMBL14880614 | 0.81 | TAAR1 (0.48) | TRPA1IDO1LOXL2TAAR1NFE2L2 | |
| SCHEMBL5941183 | 0.79 | NFE2L2 (0.50) | IDO1TAAR1NFE2L2AGXTMAOA | |
| SCHEMBL154188 | 0.79 | NFE2L2 (0.55) | LOXL2TAAR1NFE2L2MAOAMAOB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106946974-B | Ursolic amide derivative containing pyrazole heterocycle and synthesis and application thereof | 中国科学院上海高等研究院 | 2020-03-31 | — | — | CN | disclosed |
| EP-0929217-A4 | SORDARIN DERIVATIVES | MERCK & CO INC (US) | 1999-12-15 | — | — | EP | disclosed |
| EP-0929217-A1 | SORDARIN DERIVATIVES | Merck & Co., Inc. (US) | 1999-07-21 | — | — | EP | disclosed |
| US-5811422-A | USEFUL FOR TREATING VIRAL INFECTIONS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-09-22 | — | — | US | disclosed |
| WO-1998015178-A1 | SORDARIN DERIVATIVES | MERCK & CO., INC. (US) | 1998-04-16 | — | — | WO | disclosed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | disclosed |