Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.60 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.60 |
| ▸ | CA2 | P00918 | 4/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | LOX | P28300 | 1/20 | 0.38 |
| ▸ | KAT6A | Q92794 | 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 | |
|---|---|---|---|---|
| SCHEMBL4739952 | 0.98 | KEAP1 (0.58) | KEAP1NFE2L2CA2L3MBTL1PKM | |
| SCHEMBL4681587 | 0.98 | KEAP1 (0.58) | KEAP1NFE2L2CA2L3MBTL1PKM | |
| SCHEMBL4685957 | 0.95 | KEAP1 (0.57) | KEAP1NFE2L2CA2L3MBTL1PKM | |
| SCHEMBL4683020 | 0.87 | NFE2L2 (0.53) | KEAP1NFE2L2CA2L3MBTL1PKM | |
| SCHEMBL4685627 | 0.84 | NFE2L2 (0.61) | KEAP1NFE2L2L3MBTL1PKMKDM4E | |
| SCHEMBL4681582 | 0.83 | NFE2L2 (0.60) | KEAP1NFE2L2L3MBTL1PKMKDM4E | |
| SCHEMBL3413877 | 0.83 | KEAP1 (0.60) | KEAP1NFE2L2L3MBTL1PKMKDM4E | |
| SCHEMBL4739949 | 0.83 | NFE2L2 (0.60) | KEAP1NFE2L2L3MBTL1PKMKDM4E | |
| SCHEMBL10970323 | 0.82 | NFE2L2 (0.59) | KEAP1NFE2L2L3MBTL1PKMKDM4E | |
| SCHEMBL4685955 | 0.82 | NFE2L2 (0.59) | KEAP1NFE2L2L3MBTL1PKMKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5753644-A | Vasopressin antagonist and oxytocin antagonist | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-05-19 | — | — | US | disclosed |
| US-5622947-A | VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1997-04-22 | — | — | US | disclosed |
| EP-0620003-A1 | VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-10-19 | — | — | EP | disclosed |