Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | CPT1A | P50416 | 1/20 | 0.33 |
| ▸ | GPR174 | Q9BXC1 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9301818 | 0.92 | ATR (0.35) | HDAC1HDAC8HDAC6ATRATRIP | |
| SCHEMBL9303841 | 0.91 | HPGD (0.35) | HDAC1HDAC8HDAC6ATRATRIP | |
| SCHEMBL9303690 | 0.85 | OPRM1 (0.37) | HDAC1HDAC8HDAC6ATRATRIP | |
| SCHEMBL9847732 | 0.81 | HTT (0.43) | OPRM1OPRD1OGFRL1CYP11B2CYP11B1 | |
| SCHEMBL9847728 | 0.80 | OGFRL1 (0.38) | OPRM1OPRD1OPRK1OGFRL1CYP11B2 | |
| SCHEMBL9301681 | 0.73 | HTT (0.42) | OPRM1OPRD1OGFRL1CYP11B2CYP11B1 | |
| SCHEMBL9301682 | 0.72 | RORC (0.42) | OPRM1OPRD1OGFRL1CYP11B2CYP11B1 | |
| SCHEMBL9301581 | 0.72 | HTT (0.50) | OPRM1OPRD1OGFRL1CYP11B2CYP11B1 | |
| SCHEMBL9301471 | 0.72 | RORC (0.41) | OPRM1OPRD1OGFRL1CYP11B2CYP11B1 | |
| SCHEMBL9303487 | 0.71 | HDAC1 (0.34) | HDAC1HDAC8HDAC6ATRATRIP |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0433648-A1 | Substituted pyrimidobenzimidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1991-06-26 | — | — | EP | disclosed |