Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | TNF | P01375 | 1/20 | 0.36 |
| ▸ | LITAF | Q99732 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19012578 | 0.84 | PARP1 (0.40) | PARP1TNFLITAFHTR1AADRA1D | |
| SCHEMBL19012437 | 0.78 | TNF (0.40) | PARP1TNFLITAFHTR1AADRA1D | |
| SCHEMBL18436735 | 0.75 | TNF (0.38) | PARP1TNFLITAFHTR1AADRA1D | |
| SCHEMBL18436773 | 0.74 | PARP1 (0.40) | PARP1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL16951638 | 0.73 | MAP3K14 (0.37) | HTR1AMEN1RAB9AKMT2ALMNA | |
| SCHEMBL21336609 | 0.72 | HTR1A (0.39) | PARP1TNFLITAFHTR1AADRA1D | |
| SCHEMBL16959393 | 0.66 | ALDH1A1 (0.46) | CYP1A2CYP2A6 | |
| SCHEMBL862479 | 0.65 | CCR1 (0.68) | PARP1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL19000956 | 0.65 | PDK2 (0.33) | PARP1PDK2PDK4KDM4EPDK1 | |
| SCHEMBL19012433 | 0.63 | PARP1 (0.44) | PARP1HTR1AADRA1DADRA1AADRA1B |
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 |
|---|---|---|---|---|---|---|---|
| EP-3124482-A1 | QUINOLINE DERIVATIVES AS SMO INHIBITORS | GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) | 2017-02-01 | — | — | EP | disclosed |