Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSMB1 | P20618 | 4/20 | 0.54 |
| ▸ | PSMB5 | P28074 | 3/20 | 0.54 |
| ▸ | PSMB2 | P49721 | 2/20 | 0.54 |
| ▸ | KDM1A | O60341 | 1/20 | 0.52 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.52 |
| ▸ | LTA4H | P09960 | 3/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | HRH1 | P35367 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7733935 | 0.90 | KDM4E (0.56) | PSMB1PSMB5PSMB2LTA4HHRH3 | |
| SCHEMBL2344523 | 0.85 | PSMB1 (0.74) | PSMB1PSMB5PSMB2TBK1LTA4H | |
| Hydrochloric Acid SCHEMBL7626127 | 0.84 | PSMB1 (0.72) | PSMB1PSMB5PSMB2TBK1LTA4H | |
| SCHEMBL7139772 | 0.84 | PSMB1 (0.71) | PSMB1PSMB5PSMB2TBK1LTA4H | |
| SCHEMBL7375521 | 0.82 | LTA4H (0.54) | PSMB1PSMB5PSMB2LTA4HHRH3 | |
| SCHEMBL1027972 | 0.81 | PSMB1 (0.80) | PSMB1PSMB5PSMB2LTA4HHRH3 | |
| SCHEMBL2741667 | 0.81 | PSMB1 (0.80) | PSMB1PSMB5PSMB2LTA4HHRH3 | |
| SCHEMBL19047914 | 0.80 | HRH1 (0.60) | PSMB1PSMB5PSMB2KDM1ALTA4H | |
| Hydrochloric Acid SCHEMBL228398 | 0.80 | PSMB1 (0.78) | PSMB1PSMB5PSMB2LTA4HHRH3 | |
| Hydrochloric Acid SCHEMBL228100 | 0.80 | PSMB1 (0.78) | PSMB1PSMB5PSMB2LTA4HHRH3 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0805685-B1 | NOVEL ANTIFUNGAL CYCLOHEXAPEPTIDES | MERCK & CO INC (US) | 2001-09-26 | — | — | EP | disclosed |
| US-6268338-B1 | USEFUL AS AN ANTIBIOTIC, ESPECIALLY AS AN ANTIFUNGAL AGENT OR AS AN ANTIPROTOZOAL AGENT. | MERCK & CO., INC. | 2001-07-31 | — | — | US | disclosed |
| EP-0707488-A4 | CYCLOHEXAPEPTIDYL AMINE COMPOUNDS | MERCK & CO INC (US) | 1998-01-14 | — | — | EP | disclosed |
| WO-1996022784-A1 | NOVEL ANTIFUNGAL CYCLOHEXAPEPTIDES | MERCK & CO., INC. (US) | 1996-08-01 | — | — | WO | disclosed |
| US-5516756-A | MICROBIOCIDES | MERCK & CO., INC. (US) | 1996-05-14 | — | — | US | disclosed |
| WO-1996013272-A1 | AZA CYCLOHEXAPEPTIDE COMPOUNDS | MERCK & CO., INC. (US) | 1996-05-09 | — | — | WO | disclosed |
| EP-0707488-A1 | CYCLOHEXAPEPTIDYL AMINE COMPOUNDS | MERCK & CO. INC. (US) | 1996-04-24 | — | — | EP | disclosed |
| WO-1994025045-A1 | CYCLOHEXAPEPTIDYL AMINOALKYL ETHERS | MERCK & CO., INC. (US) | 1994-11-10 | — | — | WO | disclosed |
| WO-1994025048-A1 | CYCLOHEXAPEPTIDYL AMINE COMPOUNDS | MERCK & CO., INC. (US) | 1994-11-10 | — | — | WO | disclosed |
| WO-1994025050-A1 | CYCLOHEXAPEPTIDYL PROPANOLAMINE COMPOUNDS | MERCK & CO., INC. (US) | 1994-11-10 | — | — | WO | disclosed |