Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | HPGD | P15428 | 4/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 4/20 | 0.44 |
| ▸ | GABRA6 | Q16445 | 4/20 | 0.44 |
| ▸ | TUBB4A | P04350 | 3/20 | 0.44 |
| ▸ | TUBB | P07437 | 3/20 | 0.44 |
| ▸ | TUBA3C | P0DPH7 | 3/20 | 0.44 |
| ▸ | TUBA1B | P68363 | 3/20 | 0.44 |
| ▸ | TUBA4A | P68366 | 3/20 | 0.44 |
| ▸ | TUBB4B | P68371 | 3/20 | 0.44 |
| ▸ | TUBB3 | Q13509 | 3/20 | 0.44 |
| ▸ | TUBB2A | Q13885 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9242488 | 0.78 | ALDH1A1 (0.48) | KDM4EALDH1A1HPGDGAALMNA | |
| SCHEMBL9236381 | 0.77 | KDM4E (0.47) | KDM4EALDH1A1HPGDLMNAGABRA1 | |
| SCHEMBL8551025 | 0.77 | GAA (0.44) | KDM4EALDH1A1HPGDGAANPSR1 | |
| SCHEMBL4334687 | 0.75 | CYP1A2 (0.43) | KDM4EALDH1A1HPGDGAANPSR1 | |
| SCHEMBL8549182 | 0.74 | GABRA1 (0.47) | KDM4EALDH1A1HPGDGAALMNA | |
| SCHEMBL8546850 | 0.73 | KDM4E (0.52) | KDM4EALDH1A1HPGDGAANPSR1 | |
| SCHEMBL6260071 | 0.72 | KDM4E (0.46) | KDM4EALDH1A1HPGDGAANPSR1 | |
| SCHEMBL9573828 | 0.72 | GABRA1 (0.47) | KDM4EALDH1A1HPGDGAANPSR1 | |
| SCHEMBL8591475 | 0.71 | PTPN1 (0.42) | KDM4EALDH1A1HPGDGAANPSR1 | |
| SCHEMBL8594175 | 0.71 | ALDH1A1 (0.39) | KDM4EALDH1A1HPGDGAANPSR1 |
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 |