Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 5/20 | 0.34 |
| ▸ | FAAH | O00519 | 3/20 | 0.34 |
| ▸ | CES2 | O00748 | 2/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 4/20 | 0.31 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL9995631 | 0.87 | CYP2C19 (0.38) | CES1FAAHCES2EPHX1TSHR | |
| SCHEMBL9995606 | 0.83 | CES1 (0.36) | PAOXCES1FAAHCES2EPHX1 | |
| SCHEMBL9995634 | 0.82 | CA3 (0.32) | — | |
| SCHEMBL12073487 | 0.82 | KDM4E (0.33) | — | |
| SCHEMBL15012485 | 0.81 | FAAH (0.44) | CES1FAAHCES2EPHX1ALDH1A1 | |
| SCHEMBL9995647 | 0.79 | CES1 (0.30) | CES1FAAHCES2 | |
| SCHEMBL9995644 | 0.78 | CES1 (0.32) | CES1 | |
| SCHEMBL23177600 | 0.76 | CES1 (0.34) | CES1FAAHCES2 | |
| SCHEMBL18766847 | 0.76 | TSHR (0.43) | PAOXALDH1A1TSHR | |
| SCHEMBL7836962 | 0.76 | PAOX (0.38) | PAOXALDH1A1TSHRRELACA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2585435-A1 | 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND THE USE THEREOF FOR PRODUCTION OF MEDICAMENTS | Bayer Intellectual Property GmbH (DE) | 2013-05-01 | — | — | EP | disclosed |
| WO-2011161101-A1 | 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND THE USE THEREOF FOR PRODUCTION OF MEDICAMENTS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2011-12-29 | — | — | WO | disclosed |