Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TP53 | P04637 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | STAT1 | P42224 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9154002 | 0.91 | TLR9 (0.42) | NPC1ALDH1A1TP53HPGDRAB9A | |
| SCHEMBL7538771 | 0.81 | NPC1 (0.35) | NPC1ALDH1A1TP53HPGDRAB9A | |
| SCHEMBL7537821 | 0.80 | NPC1 (0.54) | NPC1ALDH1A1TP53HPGDRAB9A | |
| SCHEMBL2121847 | 0.80 | NPC1 (0.54) | NPC1ALDH1A1TP53HPGDRAB9A | |
| SCHEMBL7537586 | 0.80 | NPC1 (0.54) | NPC1ALDH1A1TP53HPGDRAB9A | |
| SCHEMBL7537404 | 0.79 | NPC1 (0.53) | NPC1ALDH1A1TP53HPGDRAB9A | |
| Hydrochloric Acid SCHEMBL7540959 | 0.79 | NPC1 (0.53) | NPC1ALDH1A1TP53HPGDRAB9A | |
| Hydrochloric Acid SCHEMBL7540963 | 0.79 | NPC1 (0.53) | NPC1ALDH1A1TP53HPGDRAB9A | |
| SCHEMBL7537408 | 0.79 | NPC1 (0.53) | NPC1ALDH1A1TP53HPGDRAB9A | |
| Hydrochloric Acid SCHEMBL7539746 | 0.78 | NPC1 (0.52) | NPC1ALDH1A1TP53HPGDRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0676960-B1 | CYCLOALKYL AMINE BIS-ARYL SQUALENE SYNTHASE INHIBITORS | AVENTIS PHARM PROD INC (US) | 2002-05-22 | — | — | EP | disclosed |
| US-5451596-A | Cycloalkyl amine bis-aryl squalene synthase inhibitors | RHONE POULENC RORER PHARMACEUTICALS INC. (US) | 1995-09-19 | — | — | US | disclosed |