Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.60 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.60 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.60 |
| ▸ | RELA | Q04206 | 3/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | THRA | P10827 | 1/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | PLA2G4B | P0C869 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | RARB | P10826 | 3/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9640210 | 1.00 | NPC1 (0.60) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9641111 | 1.00 | NPC1 (0.60) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9641098 | 1.00 | NPC1 (0.60) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9641080 | 1.00 | NPC1 (0.60) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9641052 | 1.00 | NPC1 (0.60) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9648889 | 1.00 | NPC1 (0.60) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9640740 | 1.00 | NPC1 (0.60) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9640176 | 1.00 | NPC1 (0.60) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL10335709 | 1.00 | NPC1 (0.60) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9641207 | 1.00 | NPC1 (0.60) | NPC1LMNANFKB1NFKB2RELA |
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-0357702-B1 | FLUORINATED OLIGOPHENYL DERIVATIVES | MERCK PATENT GmbH (DE) | 1992-08-12 | — | — | EP | disclosed |
| EP-0357702-A1 | FLUORINATED OLIGOPHENYL DERIVATIVES. | MERCK PATENT GMBH (DE) | 1990-03-14 | — | — | EP | disclosed |
| WO-1989006678-A1 | FLUORINATED OLIGOPHENYL DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-07-27 | — | — | WO | disclosed |