Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.41 |
| ▸ | LMNA | P02545 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.41 |
| ▸ | RELA | Q04206 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | RARB | P10826 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9157832 | 1.00 | NPC1 (0.41) | NPC1LMNASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL9156648 | 1.00 | NPC1 (0.41) | NPC1LMNASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL9158199 | 0.96 | NPC1 (0.43) | NPC1LMNASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL9154370 | 0.96 | NPC1 (0.43) | NPC1LMNASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL9156769 | 0.96 | NPC1 (0.43) | NPC1LMNASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL9155789 | 0.96 | NPC1 (0.43) | NPC1LMNASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL9156583 | 0.92 | RARB (0.45) | NPC1LMNASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL9151913 | 0.92 | RARB (0.45) | NPC1LMNASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL9156669 | 0.92 | RARB (0.45) | NPC1LMNASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL9151939 | 0.92 | RARB (0.45) | NPC1LMNASMN1; SMN2NFKB1NFKB2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5407599-A | Cyclopropylaklyl or -alkenyl or heterocyclic compounds, process for their preparation and their use in liquid-crystalline mixtures | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-04-18 | — | — | US | disclosed |