Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 3/20 | 0.47 |
| ▸ | DBF4 | Q9UBU7 | 3/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 4/20 | 0.36 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | XBP1 | P17861 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL31637836 | 0.82 | HCAR2 (0.43) | HDAC1HDAC6KDM4EALDH1A1 | |
| SCHEMBL27566476 | 0.78 | NPC1 (0.45) | CDC7DBF4HDAC3HDAC4HDAC1 | |
| SCHEMBL23179999 | 0.77 | CDC7 (0.56) | CDC7DBF4HDAC3HDAC4HDAC1 | |
| SCHEMBL5755213 | 0.75 | CDC7 (0.54) | CDC7DBF4HDAC3HDAC4HDAC1 | |
| SCHEMBL23146427 | 0.73 | CDC7 (0.52) | CDC7DBF4HDAC3HDAC4HDAC1 | |
| SCHEMBL1680800 | 0.73 | CDC7 (0.52) | CDC7DBF4KDM4EP2RX3NPC1 | |
| SCHEMBL15321067 | 0.73 | CDC7 (0.55) | CDC7DBF4HDAC3HDAC4HDAC1 | |
| SCHEMBL23146325 | 0.72 | CDC7 (0.51) | CDC7DBF4HDAC3HDAC4HDAC1 | |
| SCHEMBL286068 | 0.72 | CDC7 (0.60) | CDC7DBF4HDAC3HDAC4HDAC1 | |
| SCHEMBL16933028 | 0.72 | CDC7 (0.60) | CDC7DBF4HDAC3HDAC4HDAC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1251848-A1 | GYRASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-10-30 | — | — | EP | disclosed |
| EP-1251849-A1 | GYRASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-10-30 | — | — | EP | disclosed |
| WO-2001052845-A1 | GYRASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPOATED (US) | 2001-07-26 | — | — | WO | disclosed |
| WO-2001052846-A1 | GYRASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2001-07-26 | — | — | WO | disclosed |