Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | GLI1 | P08151 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14721218 | 0.76 | GLI1 (0.35) | CTSBCTSSCTSKGLI1TSHR | |
| SCHEMBL725764 | 0.76 | MCL1 (0.49) | CTSBCTSSCTSKGLI1MCL1 | |
| SCHEMBL11528758 | 0.69 | MCL1 (0.42) | GLI1MCL1MAPK1KMT2A | |
| SCHEMBL17438623 | 0.68 | MCL1 (0.41) | GLI1MCL1MAPK1KMT2A | |
| SCHEMBL10827651 | 0.67 | GLI1 (0.34) | GLI1 | |
| SCHEMBL9005010 | 0.62 | CTSB (0.58) | CTSBCTSSCTSKGLI1 | |
| SCHEMBL2736560 | 0.62 | CES2 (0.46) | CTSBCTSSCTSKGLI1TSHR | |
| SCHEMBL9005013 | 0.62 | CTSB (0.58) | CTSBCTSSCTSKGLI1 | |
| SCHEMBL9005007 | 0.62 | CTSB (0.58) | CTSBCTSSCTSKGLI1 | |
| SCHEMBL15284913 | 0.62 | PDPK1 (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2091925-A1 | BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION OF SAME | Boehringer Ingelheim International GmbH (DE) | 2009-08-26 | — | — | EP | claimed |
| WO-2008055854-A1 | BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION OF SAME | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-05-15 | — | — | WO | claimed |
| EP-2091925-A1 | BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION OF SAME | Boehringer Ingelheim International GmbH (DE) | 2009-08-26 | — | — | EP | disclosed |
| WO-2008055854-A1 | BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION OF SAME | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-05-15 | — | — | WO | disclosed |