Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | ADK | P55263 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.36 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | CBFB | Q13951 | 2/20 | 0.35 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL197279 | 0.82 | NISCH (0.54) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL13830975 | 0.78 | NISCH (0.39) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL28596107 | 0.76 | ALDH1A1 (0.38) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL16588099 | 0.75 | CCR1 (0.48) | ALDH1A1MEN1KMT2AKDM4ECCR1 | |
| SCHEMBL29079328 | 0.75 | NISCH (0.47) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL14304159 | 0.74 | NISCH (0.46) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL309114 | 0.74 | CCR1 (0.54) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL4766313 | 0.74 | NISCH (0.46) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL31374443 | 0.74 | NISCH (0.46) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL3050014 | 0.74 | NISCH (0.46) | NISCHMTORADKALDH1A1MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113121502-A | Heteroaromatic hydrocarbon compound, intermediate, composition and application | 山东铂源生物医药有限公司 | 2021-07-16 | — | — | CN | disclosed |
| EP-0986562-A1 | SUBSTITUTED 1,2,4-TRIAZOLO 3,4-A]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS | MERCK SHARP & DOHME LTD. (GB) | 2000-03-22 | — | — | EP | disclosed |
| WO-1998050385-A1 | SUBSTITUTED 1,2,4-TRIAZOLO[3,4-a]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 1998-11-12 | — | — | WO | disclosed |