Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 5/20 | 0.46 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | BRD2 | P25440 | 1/20 | 0.37 |
| ▸ | CECR2 | Q9BXF3 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | RYR2 | Q92736 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 3/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29033709 | 0.82 | P2RX7 (0.42) | P2RX7DPP4PIK3CDBRD4BRD2 | |
| SCHEMBL10274994 | 0.81 | CYP1A2 (0.48) | P2RX7DPP4PIK3CDBRD4BRD2 | |
| SCHEMBL5508211 | 0.81 | P2RX7 (0.47) | P2RX7DPP4PIK3CDBRD4BRD2 | |
| SCHEMBL11187153 | 0.79 | P2RX7 (0.50) | P2RX7DPP4PIK3CDBRD4BRD2 | |
| SCHEMBL23153416 | 0.79 | P2RX7 (0.46) | P2RX7DPP4PIK3CDBRD4BRD2 | |
| SCHEMBL13472648 | 0.76 | DPP4 (0.47) | P2RX7DPP4PIK3CDNOTUMKCNH2 | |
| SCHEMBL12049989 | 0.76 | P2RX7 (0.44) | P2RX7DPP4PIK3CDBRD4BRD2 | |
| SCHEMBL16750106 | 0.76 | PIK3CD (0.46) | P2RX7DPP4PIK3CDBRD4BRD2 | |
| SCHEMBL23583854 | 0.76 | P2RX7 (0.44) | P2RX7DPP4PIK3CDRYR2 | |
| SCHEMBL13223521 | 0.76 | P2RX7 (0.44) | P2RX7DPP4PIK3CDCECR2NOTUM |
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-0824544-B1 | PEPTIDYL COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USE | DARWIN DISCOVERY LTD (GB) | 2003-04-16 | — | — | EP | claimed |
| WO-2008086188-A2 | THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-07-17 | — | — | WO | disclosed |