Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.40 |
| ▸ | PTGES2 | Q9H7Z7 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | RGS12 | O14924 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL13931384 | 0.91 | PTGS2 (0.42) | PARP1PARP2PTGES2CYP1A2CYP3A4 | |
| SCHEMBL8181544 | 0.89 | CYP1A2 (0.39) | PTGES2CYP1A2CYP3A4CYP2C9LMNA | |
| SCHEMBL8175786 | 0.86 | KMT2A (0.41) | PTGES2CYP1A2CYP3A4CYP2C9LMNA | |
| SCHEMBL13931385 | 0.80 | PTGS2 (0.44) | PTGES2CYP1A2CYP3A4CYP2C9LMNA | |
| SCHEMBL13931386 | 0.77 | PTGS2 (0.46) | PTGES2CYP1A2CYP3A4CYP2C9LMNA | |
| SCHEMBL8181548 | 0.76 | PPARG (0.40) | PTGES2CYP1A2CYP3A4CYP2C9LMNA | |
| SCHEMBL8179608 | 0.75 | ATM (0.49) | CYP1A2CYP3A4CYP2C9LMNATSHR | |
| SCHEMBL8167668 | 0.75 | PLA2G1B (0.43) | CYP1A2CYP3A4CYP2C9LMNATSHR | |
| SCHEMBL8165177 | 0.74 | PPARG (0.47) | MEN1KMT2AALDH1A1PTGDR2PTGES | |
| SCHEMBL8171613 | 0.72 | PPARG (0.50) | PTGES2PLA2G2ATHRATHRB |
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-2008100867-A2 | NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2008-08-21 | — | — | WO | disclosed |