Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 2/20 | 0.35 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.33 |
| ▸ | RAF1 | P04049 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | AXL | P30530 | 1/20 | 0.33 |
| ▸ | METAP2 | P50579 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15568495 | 0.74 | BRD4 (0.39) | BRD4KDM4EHTTMAPTLMNA | |
| SCHEMBL3537413 | 0.70 | BRD4 (0.48) | BRD4KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL15568577 | 0.68 | BRD4 (0.45) | BRD4KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL15569439 | 0.68 | BRD4 (0.42) | BRD4KDM4EALDH1A1HSD17B10MAPK1 | |
| SCHEMBL30951387 | 0.66 | PLK4 (0.36) | ALDH1A1PDPK1HTTLMNAPOLB | |
| SCHEMBL15569789 | 0.66 | TUBB4A (0.41) | BRD4LCKMKNK1 | |
| SCHEMBL15568576 | 0.65 | SIRT5 (0.44) | BRD4KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL15568578 | 0.63 | KMT2A (0.49) | BRD4PDPK1MAPTRAF1BRAF | |
| SCHEMBL15569874 | 0.62 | MAOA (0.36) | BRD4HTTMAPTLMNAPOLB | |
| SCHEMBL8140602 | 0.61 | SLC40A1 (0.43) | HSD17B10HTTGAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2885299-A1 | INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A | AbbVie Deutschland GmbH & Co KG (DE) | 2015-06-24 | — | — | EP | disclosed |
| WO-2014027078-A1 | INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A | AbbVie Deutschland GmbH & Co. KG (DE) | 2014-02-20 | — | — | WO | disclosed |