Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 17/20 | 0.52 |
| ▸ | CYP11B1 | P15538 | 16/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9151552 | 0.89 | NPC1 (0.62) | CYP11B2CYP11B1NPC1TP53PKM | |
| SCHEMBL9151591 | 0.87 | RAB9A (0.58) | CYP11B2CYP11B1NPC1TP53PKM | |
| SCHEMBL30751808 | 0.86 | KCNJ1 (0.52) | CYP11B2CYP11B1KCNJ1 | |
| SCHEMBL21243550 | 0.86 | KCNJ1 (0.52) | CYP11B2CYP11B1KCNJ1 | |
| SCHEMBL20168408 | 0.86 | CYP11B2 (0.50) | CYP11B2CYP11B1KCNJ1 | |
| SCHEMBL9150359 | 0.86 | RAB9A (0.54) | CYP11B2CYP11B1NPC1TP53PKM | |
| SCHEMBL10359479 | 0.85 | CYP11B1 (0.49) | CYP11B2CYP11B1NPC1TP53RAB9A | |
| SCHEMBL9151076 | 0.85 | RAB9A (0.56) | CYP11B2CYP11B1NPC1TP53PKM | |
| SCHEMBL9151358 | 0.85 | RAB9A (0.56) | CYP11B2CYP11B1NPC1TP53PKM | |
| SCHEMBL7910603 | 0.85 | RAB9A (0.56) | CYP11B2CYP11B1NPC1TP53PKM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0252961-B1 | HETEROCYCLIC COMPOUNDS AS COMPONENTS OF LIQUID CRYSTAL PHASES | MERCK PATENT GMBH (DE) | 1995-02-08 | — | — | EP | claimed |
| EP-0252961-B1 | HETEROCYCLIC COMPOUNDS AS COMPONENTS OF LIQUID CRYSTAL PHASES | MERCK PATENT GMBH (DE) | 1995-02-08 | — | — | EP | disclosed |
| US-4913837-A | Heterocyclic compounds | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1990-04-03 | — | — | US | disclosed |