Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | EDNRB | P24530 | 4/20 | 0.44 |
| ▸ | EDNRA | P25101 | 4/20 | 0.44 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.41 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL7842141 | 0.85 | KMT2A (0.58) | KMT2AEDNRAMAPK9MEN1POLB | |
| SCHEMBL8153870 | 0.78 | EDNRB (0.48) | EDNRBEDNRA | |
| SCHEMBL8699595 | 0.77 | KMT2A (0.61) | KMT2AEDNRAMAPK9MEN1ALDH1A1 | |
| SCHEMBL7333884 | 0.76 | CYP3A4 (0.48) | KMT2AMEN1POLBALDH1A1CYP3A4 | |
| SCHEMBL10605438 | 0.74 | CYP3A4 (0.46) | KMT2AEDNRBEDNRAMEN1POLB | |
| SCHEMBL7840581 | 0.72 | NPC1 (0.48) | KMT2AHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL8123034 | 0.70 | EDNRB (0.44) | KMT2AEDNRBEDNRAMEN1ALDH1A1 | |
| SCHEMBL10610633 | 0.69 | MEN1 (0.61) | KMT2AEDNRBEDNRAMEN1ALDH1A1 | |
| SCHEMBL28494986 | 0.69 | CYP3A4 (0.43) | KMT2AALKBH5MEN1ALDH1A1CYP3A4 | |
| SCHEMBL7842966 | 0.69 | MAPT (0.47) | KMT2AEDNRAHDAC3HDAC4HDAC1 |
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-0882030-B1 | 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT | MERCK PATENT GMBH (DE) | 2001-09-12 | — | — | EP | disclosed |
| WO-1998042702-A1 | ENDOTHELIN-RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 1998-10-01 | — | — | WO | disclosed |