Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | LCK | P06239 | 1/20 | 0.30 |
| ▸ | JAK3 | P52333 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL4375378 | 0.68 | HTT (0.40) | LMNATSHRALDH1A1HTT | |
| SCHEMBL23595739 | 0.66 | — | — | |
| SCHEMBL10698474 | 0.66 | — | — | |
| SCHEMBL18239349 | 0.66 | — | — | |
| SCHEMBL12309751 | 0.65 | KMT2A (0.52) | LMNAALDH1A1HTT | |
| SCHEMBL13044935 | 0.65 | KMT2A (0.52) | LMNAALDH1A1HTT | |
| Hydrochloric Acid SCHEMBL10965326 | 0.65 | CA1 (0.48) | LMNAHTT | |
| SCHEMBL6043642 | 0.62 | ALDH1A1 (0.35) | TSHRALDH1A1HTT | |
| SCHEMBL15284913 | 0.62 | PDPK1 (0.32) | LMNA | |
| Benzene SCHEMBL29051407 | 0.62 | CA1 (0.45) | LMNA |
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 |