Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 4/20 | 0.54 |
| ▸ | BRD4 | O60885 | 3/20 | 0.44 |
| ▸ | ATAD2 | Q6PL18 | 3/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
| ▸ | HTR6 | P50406 | 4/20 | 0.42 |
| ▸ | JUND | P17535 | 1/20 | 0.41 |
| ▸ | FOSB | P53539 | 1/20 | 0.41 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | PLAT | P00750 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CDK9 | P50750 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3543444 | 0.80 | DAO (0.52) | HTR2CBRD4ATAD2HTR1ASLC6A2 | |
| SCHEMBL13792219 | 0.80 | DAO (0.52) | HTR2CBRD4ATAD2HTR1ASLC6A2 | |
| Hydrochloric Acid SCHEMBL2211935 | 0.79 | DAO (0.51) | HTR2CBRD4ATAD2HTR1ASLC6A2 | |
| Hydrochloric Acid SCHEMBL2212880 | 0.79 | DAO (0.51) | HTR2CBRD4ATAD2HTR1ASLC6A2 | |
| Acetic Acid SCHEMBL3891621 | 0.77 | DAO (0.49) | BRD4ATAD2HTR1ASLC6A2SLC6A4 | |
| SCHEMBL27696635 | 0.75 | HTR2C (0.66) | HTR2CHTR1ASLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL3894574 | 0.74 | HTR2C (0.67) | HTR2CHTR1ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL105569 | 0.74 | MAOB (0.48) | HTR2CBRD4HRH4 | |
| SCHEMBL2260023 | 0.73 | KDM4E (0.51) | HTR2CHTR6 | |
| Hydrochloric Acid SCHEMBL31318331 | 0.72 | HTR2C (0.48) | HTR2CBRD4HRH4 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2225223-B1 | ORGANIC COMPOUNDS | BOEHRINGER INGELHEIM INT (DE) | 2017-01-11 | — | — | EP | disclosed |
| EP-2205590-B1 | CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2014-06-04 | — | — | EP | disclosed |
| EP-2251338-A2 | Organic compounds | Boehringer Ingelheim International GmbH (DE) | 2010-11-17 | — | — | EP | disclosed |
| EP-2225223-A2 | ORGANIC COMPOUNDS | Boehringer Ingelheim International GmbH (DE) | 2010-09-08 | — | — | EP | disclosed |
| EP-2205590-A1 | CGRP ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2010-07-14 | — | — | EP | disclosed |
| WO-2009065919-A2 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-05-28 | — | — | WO | disclosed |
| WO-2009050232-A1 | CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-23 | — | — | WO | disclosed |