Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL29205065 | 0.90 | NAPRT (0.41) | KDM4ENPSR1PARP1NAPRTALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL27924779 | 0.77 | KDM4E (0.34) | KDM4ENPSR1KDM1ANPC1CYP1A2 | |
| SCHEMBL15782805 | 0.76 | CA12 (0.44) | KDM4EPARP1NAPRTALDH1A1HPGD | |
| SCHEMBL6821880 | 0.74 | SRD5A2 (0.48) | PARP1THRB | |
| SCHEMBL6821801 | 0.71 | CYP1A2 (0.45) | PARP1NAPRTMEN1KMT2ACYP1A2 | |
| SCHEMBL28228782 | 0.71 | MAPT (0.40) | KDM4EPARP1NAPRTMAPT | |
| SCHEMBL9094208 | 0.70 | GABRA1 (0.48) | KDM4EPARP1ALDH1A1HPGDMEN1 | |
| SCHEMBL6821850 | 0.70 | DAO (0.48) | MEN1MAPTKMT2A | |
| SCHEMBL17595018 | 0.69 | NAPRT (0.35) | KDM4ENPSR1PARP1NAPRTMEN1 | |
| SCHEMBL2223763 | 0.69 | NOTUM (0.45) | KDM4EPARP1NAPRTALDH1A1HPGD |
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-2016039936-A2 | MONOCYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS | PTC THERAPEUTICS, INC. (US) | 2016-03-17 | — | — | WO | disclosed |