Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 3/20 | 0.57 |
| ▸ | DAO | P14920 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | CCR2 | P41597 | 5/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | PHGDH | O43175 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7833632 | 0.87 | MCL1 (0.50) | MCL1DAOALDH1A1TSHRKDM4E | |
| SCHEMBL10379817 | 0.85 | DAO (0.59) | MCL1DAOALDH1A1TSHRKDM4E | |
| SCHEMBL9120939 | 0.83 | CCR2 (0.51) | MCL1DAOALDH1A1TSHRCCR2 | |
| SCHEMBL25195634 | 0.81 | MCL1 (0.53) | MCL1DAOALDH1A1TSHRKDM4E | |
| SCHEMBL5728166 | 0.79 | MCL1 (0.50) | MCL1DAOALDH1A1TSHRKDM4E | |
| SCHEMBL25186849 | 0.78 | DAO (0.50) | MCL1DAOALDH1A1TSHRKDM4E | |
| SCHEMBL10465214 | 0.78 | DAO (0.62) | MCL1DAOALDH1A1TSHRKDM4E | |
| SCHEMBL25191779 | 0.77 | MCL1 (0.49) | MCL1DAOALDH1A1TSHRKDM4E | |
| SCHEMBL29758037 | 0.77 | CCR2 (0.54) | MCL1DAOALDH1A1TSHRCCR2 | |
| SCHEMBL25195555 | 0.76 | MCL1 (0.48) | MCL1DAOALDH1A1TSHRKDM4E |
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 |