Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.55 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.55 |
| ▸ | RELA | Q04206 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | PLA2G4B | P0C869 | 5/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.47 |
| ▸ | ACR | P10323 | 1/20 | 0.47 |
| ▸ | RARB | P10826 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9842101 | 1.00 | NPC1 (0.55) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9841400 | 1.00 | NPC1 (0.55) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9842417 | 0.99 | LMNA (0.54) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9841279 | 0.96 | MAPT (0.52) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9841657 | 0.92 | MAPT (0.46) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9841696 | 0.88 | MAPT (0.45) | NPC1SMN1; SMN2MAPTKMT2APRSS1 | |
| SCHEMBL9841391 | 0.88 | MAPT (0.45) | NPC1SMN1; SMN2MAPTKMT2APRSS1 | |
| SCHEMBL9841186 | 0.88 | MAPT (0.45) | NPC1SMN1; SMN2MAPTKMT2APRSS1 | |
| SCHEMBL9841460 | 0.87 | NPC1 (0.56) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9841573 | 0.87 | KMT2A (0.49) | NPC1LMNAMAPTKMT2APOLB |
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 |
|---|---|---|---|---|---|---|---|
| US-5055223-A | For use in liquid crystal display elements | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-10-08 | — | — | US | disclosed |
| EP-0428434-A2 | Compounds of aromatic amines and their enantiomers, process for their preparation and pharmaceutical compositions containing them | SANOFI (FR) | 1991-05-22 | — | — | EP | disclosed |