Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.57 |
| ▸ | RAB9A | P51151 | 8/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | GLA | P06280 | 3/20 | 0.57 |
| ▸ | GAPDH | P04406 | 2/20 | 0.54 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.48 |
| ▸ | MIF | P14174 | 1/20 | 0.48 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.48 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23052991 | 1.00 | NPC1 (0.57) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL2300739 | 0.92 | NPC1 (0.66) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL2303012 | 0.87 | NPC1 (0.67) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL10024034 | 0.87 | NPC1 (0.62) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL12386519 | 0.86 | NPC1 (0.56) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL12386518 | 0.85 | NPC1 (0.78) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL18509602 | 0.85 | NPC1 (0.57) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL18646593 | 0.84 | NPC1 (0.56) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL24440922 | 0.84 | NPC1 (0.58) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL20275184 | 0.84 | NPC1 (0.58) | NPC1RAB9AKMT2AMEN1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022084168-A1 | 4,6-DIFLUORODIBENZOTHIOPHENE DERIVATIVES AND LIQUID-CRYSTAL MEDIUM CONTAINING THESE | MERCK PATENT GMBH (DE) | 2022-04-28 | — | — | WO | disclosed |
| EP-3428246-B1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2020-04-15 | — | — | EP | disclosed |