Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | TNKS | O95271 | 1/20 | 0.35 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | DDO | Q99489 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | PTGES | O14684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22648457 | 0.86 | PARP1 (0.39) | PARP1NPSR1CA12CA9TNKS | |
| SCHEMBL38663020 | 0.83 | SCN10A (0.43) | PARP1NPSR1CA12CA9TNKS | |
| SCHEMBL1128774 | 0.81 | NPSR1 (0.37) | PARP1NPSR1NPC1RAB9AALDH1A1 | |
| SCHEMBL1128993 | 0.75 | GAA (0.45) | PARP1NPSR1TNKSTNKS2L3MBTL1 | |
| SCHEMBL5142221 | 0.73 | PARP1 (0.59) | PARP1CA12CA9TNKS2PKM | |
| SCHEMBL9305632 | 0.73 | CA12 (0.40) | PARP1CA12CA9PKMNPC1 | |
| SCHEMBL23278130 | 0.72 | CA12 (0.42) | PARP1CA12CA9PKMNPC1 | |
| SCHEMBL20683086 | 0.70 | SMN1; SMN2 (0.43) | PARP1NPSR1CA12CA9PKM | |
| SCHEMBL5508549 | 0.70 | MEN1 (0.40) | PARP1NPSR1NPC1RAB9AALDH1A1 | |
| SCHEMBL31741632 | 0.70 | KDM4E (0.45) | PARP1CA12CA9TNKSTNKS2 |
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-2282762-A2 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | Intermune, Inc. (US) | 2011-02-16 | — | — | EP | disclosed |
| WO-2009142842-A2 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2009-11-26 | — | — | WO | disclosed |