Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | BCHE | P06276 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8220519 | 1.00 | NPC1 (0.52) | NPC1MAPTRAB9ABCHELMNA | |
| SCHEMBL8219212 | 0.89 | NPC1 (0.60) | NPC1MAPTRAB9ABCHELMNA | |
| SCHEMBL8219209 | 0.89 | NPC1 (0.60) | NPC1MAPTRAB9ABCHELMNA | |
| SCHEMBL8218426 | 0.87 | NPC1 (0.56) | NPC1MAPTRAB9ABCHELMNA | |
| SCHEMBL8220667 | 0.87 | NPC1 (0.53) | NPC1MAPTRAB9ABCHELMNA | |
| SCHEMBL8209030 | 0.87 | NPC1 (0.53) | NPC1MAPTRAB9ABCHELMNA | |
| SCHEMBL8218422 | 0.87 | NPC1 (0.56) | NPC1MAPTRAB9ABCHELMNA | |
| SCHEMBL8208745 | 0.86 | LMNA (0.57) | NPC1MAPTRAB9ABCHELMNA | |
| SCHEMBL8208741 | 0.86 | LMNA (0.57) | NPC1MAPTRAB9ABCHELMNA | |
| SCHEMBL8211779 | 0.85 | NPC1 (0.54) | NPC1MAPTRAB9ABCHELMNA |
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-6046218-A | 4,5-DIMETHOXY-2-(3-OXO-3-PHENYL-1-PROPENYL)PYRIDINE USED TO CURE THE DISEASES PRODUCED BY CYTOKINE | SS PHARMACEUTICAL CO., LTD. (JP) | 2000-04-04 | — | — | US | disclosed |
| EP-0838457-A1 | NOVEL PYRIDINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS ACTIVE INGREDIENT | SS Pharmaceutical Co., Ltd. (JP) | 1998-04-29 | — | — | EP | disclosed |