Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18436374 | 0.82 | AXL (0.46) | PARP1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL7494879 | 0.76 | HAVCR2 (0.52) | PARP1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL18436553 | 0.74 | PARP1 (0.36) | PARP1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL9652797 | 0.71 | ATP4A (0.50) | — | |
| SCHEMBL2020438 | 0.70 | KMT2A (0.71) | MEN1KMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL442075 | 0.70 | HAVCR2 (0.46) | PARP1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL862479 | 0.70 | CCR1 (0.68) | PARP1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL12093642 | 0.69 | MAPT (0.40) | MEN1KMT2ANPC1RAB9ACYP1A2 | |
| SCHEMBL31523701 | 0.68 | HTR1A (0.45) | PARP1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL24507816 | 0.67 | CYP2A6 (0.41) | 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 |