Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | MPO | P05164 | 4/20 | 0.44 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.42 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | TYK2 | P29597 | 1/20 | 0.38 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL31013410 | 0.84 | PARP1 (0.64) | PARP1NAPRTDAOAURKAAURKB | |
| SCHEMBL4590562 | 0.82 | IAPP (0.50) | PARP1NAPRTDAOAURKAAURKB | |
| SCHEMBL4602730 | 0.81 | NAPRT (0.46) | PARP1NAPRTDAOAURKAAURKB | |
| SCHEMBL5404670 | 0.77 | AURKA (0.48) | MPONAPRTDAOAURKAAURKB | |
| SCHEMBL27088907 | 0.77 | DAO (0.48) | PARP1NAPRTDAOAURKAAURKB | |
| SCHEMBL9321175 | 0.76 | MTNR1A (0.47) | MPOCAPN1MTNR1AKDM4EEGFR | |
| SCHEMBL7130655 | 0.76 | CAPN1 (0.47) | MPOCAPN1NAPRTKDM4EEGFR | |
| SCHEMBL9234355 | 0.75 | DAO (0.45) | PARP1NAPRTDAOAURKAAURKB | |
| SCHEMBL6536604 | 0.74 | DAO (0.45) | PARP1NAPRTDAOAURKAAURKB | |
| SCHEMBL4602524 | 0.74 | CHEK1 (0.51) | MPONAPRTDAOAURKAAURKB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1915363-A1 | OXOPYRIDYL QUINOLINE AMIDES AS NK3 RECEPTOR MODULATORS | AstraZeneca AB (SE) | 2008-04-30 | — | — | EP | claimed |
| WO-2007018469-A1 | OXOPYRIDYL QUINOLINE AMIDES AS NK3 RECEPTOR MODULATORS | ASTRAZENECA AB (SE) | 2007-02-15 | — | — | WO | claimed |
| EP-1915363-A1 | OXOPYRIDYL QUINOLINE AMIDES AS NK3 RECEPTOR MODULATORS | AstraZeneca AB (SE) | 2008-04-30 | — | — | EP | disclosed |
| WO-2007018469-A1 | OXOPYRIDYL QUINOLINE AMIDES AS NK3 RECEPTOR MODULATORS | ASTRAZENECA AB (SE) | 2007-02-15 | — | — | WO | disclosed |