Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.39 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | F13A1 | P00488 | 1/20 | 0.38 |
| ▸ | TGM2 | P21980 | 1/20 | 0.38 |
| ▸ | TGM1 | P22735 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.37 |
| ▸ | PRKDC | P78527 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | LIPE | Q05469 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6688061 | 1.00 | HDAC1 (0.40) | HDAC1HDAC3HDAC2HDAC8HDAC6 | |
| SCHEMBL6685062 | 0.87 | HDAC3 (0.44) | HDAC1HDAC3HDAC2HDAC8HDAC6 | |
| SCHEMBL6685056 | 0.87 | HDAC3 (0.44) | HDAC1HDAC3HDAC2HDAC8HDAC6 | |
| SCHEMBL6685069 | 0.87 | HDAC3 (0.44) | HDAC1HDAC3HDAC2HDAC8HDAC6 | |
| SCHEMBL6690143 | 0.84 | GPR119 (0.41) | HDAC1PTPN1NPC1 | |
| SCHEMBL6690141 | 0.84 | GPR119 (0.41) | HDAC1PTPN1NPC1 | |
| SCHEMBL6687262 | 0.82 | ALDH1A1 (0.43) | HDAC1HDAC3HDAC2HDAC8HDAC6 | |
| SCHEMBL6687260 | 0.82 | ALDH1A1 (0.43) | HDAC1HDAC3HDAC2HDAC8HDAC6 | |
| SCHEMBL6687420 | 0.80 | LMNA (0.47) | PTPN1 | |
| SCHEMBL6687419 | 0.80 | LMNA (0.47) | PTPN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004089362-A1 | 2-CYANOPYRROLES AND THEIR ANALOGUES AS DDP-IV INHIBITORS | NOVO NORDISK A/S (DK) | 2004-10-21 | — | — | WO | disclosed |