Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.56 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 3/20 | 0.46 |
| ▸ | HPGDS | O60760 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL740104 | 1.00 | PARP1 (0.56) | PARP1HTR2AHTR2CKCNH2HTR2B | |
| SCHEMBL2514717 | 1.00 | PARP1 (0.56) | PARP1HTR2AHTR2CKCNH2HTR2B | |
| SCHEMBL30418325 | 1.00 | PARP1 (0.56) | PARP1HTR2AHTR2CKCNH2HTR2B | |
| Hydrochloric Acid SCHEMBL742345 | 0.98 | PARP1 (0.55) | PARP1HTR2AHTR2CKCNH2HTR2B | |
| SCHEMBL1299363 | 0.91 | PARP1 (0.54) | PARP1HTR2B | |
| SCHEMBL1298956 | 0.84 | PARP1 (0.50) | PARP1HTR2BNPC1RAB9A | |
| SCHEMBL6756134 | 0.84 | NPC1 (0.59) | HTR2BPOLBNPC1RAB9A | |
| SCHEMBL2674802 | 0.84 | HTR2B (0.55) | HTR2BPOLBNPC1RAB9A | |
| SCHEMBL6757201 | 0.82 | NPC1 (0.62) | HTR2BPOLBNPC1RAB9A | |
| SCHEMBL724921 | 0.82 | NPC1 (0.62) | HTR2BPOLBNPC1RAB9A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8138168-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-20 | — | — | US | disclosed |
| US-8138168-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-20 | — | — | US | disclosed |
| US-8138168-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-20 | — | — | US | disclosed |
| EP-2379524-A1 | SEROTONIN 5-HT2B RECEPTOR INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010080357-A1 | SEROTONIN 5-HT2B RECEPTOR INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-07-15 | — | — | WO | disclosed |