Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | F2 | P00734 | 2/20 | 0.46 |
| ▸ | ELANE | P08246 | 2/20 | 0.46 |
| ▸ | CTSG | P08311 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | PREP | P48147 | 1/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | HRH2 | P25021 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6991074 | 1.00 | PARP1 (0.48) | PARP1NPC1RAB9AL3MBTL1F2 | |
| SCHEMBL29380426 | 1.00 | PARP1 (0.48) | PARP1NPC1RAB9AL3MBTL1F2 | |
| SCHEMBL7566815 | 1.00 | PARP1 (0.48) | PARP1NPC1RAB9AL3MBTL1F2 | |
| SCHEMBL7566816 | 1.00 | PARP1 (0.48) | PARP1NPC1RAB9AL3MBTL1F2 | |
| SCHEMBL6989536 | 0.86 | MTNR1B (0.49) | NPC1RAB9AL3MBTL1SMN1; SMN2NPSR1 | |
| SCHEMBL6989538 | 0.86 | MTNR1B (0.49) | NPC1RAB9AL3MBTL1SMN1; SMN2NPSR1 | |
| SCHEMBL6986196 | 0.76 | P2RX4 (0.40) | NPC1RAB9AL3MBTL1F2ELANE | |
| SCHEMBL6986189 | 0.76 | P2RX4 (0.40) | NPC1RAB9AL3MBTL1F2ELANE | |
| SCHEMBL1052868 | 0.76 | ACE (0.58) | PARP1NPC1RAB9AL3MBTL1SMN1; SMN2 | |
| SCHEMBL14646661 | 0.76 | NPC1 (0.55) | PARP1NPC1RAB9AL3MBTL1SMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6649626-B1 | Stimulants of gamma -aminobutyric acid receptors; psychological disorders | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2003-11-18 | — | — | US | disclosed |
| EP-1224182-B1 | N-SUBSTITUTED 1-(BUTYROLACTONE)-ISOQUINOLINES FOR TREATING NERVOUS DISORDERS | CENTRE NAT RECH SCIENT (FR) | 2003-07-16 | — | — | EP | disclosed |