Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | CCR6 | P51684 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL667448 | 0.95 | CCR6 (0.42) | LTA4HEPHX2CCR6PAX8NPC1 | |
| SCHEMBL8989023 | 0.94 | CCR6 (0.41) | LTA4HEPHX2CCR6PAX8NPC1 | |
| SCHEMBL7739753 | 0.94 | CCR6 (0.41) | LTA4HEPHX2CCR6PAX8NPC1 | |
| SCHEMBL8495462 | 0.90 | CCR6 (0.38) | LTA4HEPHX2CCR6PAX8ALDH1A1 | |
| SCHEMBL6253004 | 0.85 | KCNH2 (0.43) | SLC6A2SLC6A3 | |
| SCHEMBL2906610 | 0.84 | HDAC3 (0.46) | LTA4HCCR6PAX8HTTSMN1; SMN2 | |
| SCHEMBL27494996 | 0.84 | CA1 (0.36) | CCR6PAX8NPC1RAB9AALDH1A1 | |
| SCHEMBL15229235 | 0.84 | L3MBTL1 (0.36) | CCR6PAX8NPC1RAB9AALDH1A1 | |
| SCHEMBL8622951 | 0.83 | ALOX5 (0.48) | LTA4HCCR6PAX8HTTSMN1; SMN2 | |
| SCHEMBL8592588 | 0.83 | ALDH1A1 (0.40) | ALDH1A1TSHRL3MBTL1HCAR2HDAC6 |
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-6030944-A | AS ANTIBIOTIC | MERCK & CO., INC. (US) | 2000-02-29 | — | — | US | disclosed |
| EP-0535967-B1 | Cyclohexapeptidyl bisamine compounds | MERCK & CO INC (US) | 1998-01-14 | — | — | EP | disclosed |
| EP-0535967-A2 | Cyclohexapeptidyl bisamine compounds | MERCK & CO. INC. (US) | 1993-04-07 | — | — | EP | disclosed |