Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | CTSD | P07339 | 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 | |
|---|---|---|---|---|
| SCHEMBL6975258 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL6980254 | 0.84 | — | — | |
| SCHEMBL6975255 | 0.77 | — | — | |
| SCHEMBL6971479 | 0.76 | CTSD (0.38) | CD274CTSD | |
| SCHEMBL6978181 | 0.72 | HDAC6 (0.32) | HDAC4HDAC6CTSD | |
| SCHEMBL6978605 | 0.72 | — | — | |
| SCHEMBL8146775 | 0.72 | HDAC1 (0.33) | HDAC6 | |
| SCHEMBL6967526 | 0.71 | MPO (0.38) | PDCD1LG2CD274CTSD | |
| SCHEMBL8143721 | 0.70 | CTSD (0.43) | HDAC6CTSD | |
| SCHEMBL8175127 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0821674-B1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | SEARLE & CO (US) | 2003-08-06 | — | — | EP | disclosed |
| US-6043261-A | TREATMENT OF INFLAMMATORY CONDITIONS AFFECTING THE JOINTS, FOR EXAMPLE ARTHRITIS, INFLAMMATORY BOWEL DISEASE, CARDIOVASCULAR ISCHEMIA, DIABETES, HYPERALGESIA, CEREBRAL ISCHEMIA, THROMBOTIC STROKE, GLOBAL ISCHEMIA, NERVOUS SYSTEM DISORDERS | G. D. SEARLE & CO. (US) | 2000-03-28 | — | — | US | disclosed |
| US-5883251-A | ENZYME INHIBITORS | G. D. SEARLE & CO. (US) | 1999-03-16 | — | — | US | disclosed |
| EP-0821674-A1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1998-02-04 | — | — | EP | disclosed |
| WO-1996033175-A1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1996-10-24 | — | — | WO | disclosed |