Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | CCR2 | P41597 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 3/20 | 0.39 |
| ▸ | OXER1 | Q8TDS5 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL5728166 | 0.78 | MCL1 (0.50) | MCL1DAOCCR2ALDH1A1TSHR | |
| SCHEMBL5008889 | 0.78 | MCL1 (0.50) | MCL1DAOCCR2ALDH1A1TSHR | |
| SCHEMBL7208143 | 0.76 | DAO (0.51) | MCL1DAOCCR2ALDH1A1TSHR | |
| SCHEMBL10757133 | 0.72 | ALDH1A1 (0.66) | MCL1DAOCCR2ALDH1A1TSHR | |
| SCHEMBL6682164 | 0.70 | ALDH1A1 (0.64) | MCL1DAOCCR2ALDH1A1CYP1A2 | |
| SCHEMBL10379817 | 0.70 | DAO (0.59) | MCL1DAOCCR2ALDH1A1TSHR | |
| SCHEMBL8551062 | 0.70 | MCL1 (0.57) | MCL1DAOCCR2ALDH1A1TSHR | |
| SCHEMBL6685154 | 0.70 | MCL1 (0.57) | MCL1DAOCCR2ALDH1A1TSHR | |
| SCHEMBL10762525 | 0.69 | ALDH1A1 (0.63) | MCL1DAOCCR2ALDH1A1CYP1A2 | |
| SCHEMBL8242370 | 0.69 | ALDH1A1 (0.63) | MCL1DAOCCR2ALDH1A1CYP1A2 |
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-0863898-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | MERCK PATENT GmbH (DE) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997019077-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1997-05-29 | — | — | WO | disclosed |