Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.88 |
| ▸ | MTOR | P42345 | 1/20 | 0.88 |
| ▸ | RAB9A | P51151 | 1/20 | 0.88 |
| ▸ | VCP | P55072 | 1/20 | 0.88 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.49 |
| ▸ | MITF | O75030 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | FBP1 | P09467 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | ABL1 | P00519 | 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 | |
|---|---|---|---|---|
| Piperonal SCHEMBL6073058 | 1.00 | NPC1 (0.88) | NPC1MTORRAB9AVCPALDH1A1 | |
| SCHEMBL744717 | 0.94 | NPC1 (1.00) | NPC1MTORRAB9AVCPALDH1A1 | |
| SCHEMBL16211885 | 0.94 | NPC1 (1.00) | NPC1MTORRAB9AVCPALDH1A1 | |
| SCHEMBL30577771 | 0.94 | NPC1 (1.00) | NPC1MTORRAB9AVCPALDH1A1 | |
| SCHEMBL744716 | 0.94 | NPC1 (1.00) | NPC1MTORRAB9AVCPALDH1A1 | |
| SCHEMBL4997484 | 0.84 | VCP (0.82) | NPC1MTORRAB9AVCPMAPT | |
| SCHEMBL2742581 | 0.84 | VCP (0.82) | NPC1MTORRAB9AVCPMAPT | |
| Piperonal SCHEMBL29411164 | 0.82 | ALDH1A1 (1.00) | NPC1MTORRAB9AVCPALDH1A1 | |
| Piperonal SCHEMBL1864802 | 0.82 | ALDH1A1 (1.00) | NPC1MTORRAB9AVCPALDH1A1 | |
| Piperonal SCHEMBL29318 | 0.82 | ALDH1A1 (1.00) | NPC1MTORRAB9AVCPALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006034234-A1 | CRYSTALLINE FORM 3 OF ATRASENTAN HYDROCHLORIDE | ABBOTT LABORATORIES (US) | 2006-03-30 | — | — | WO | disclosed |