Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | GFER | P55789 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.50 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6678654 | 0.87 | CYP1A1 (0.58) | NPC1ALDH1A1HTTGAAMAPK1 | |
| SCHEMBL12306207 | 0.83 | HSP90AA1 (0.59) | NPC1ALDH1A1HTTGAAMAPK1 | |
| SCHEMBL10486451 | 0.81 | NPC1 (0.69) | NPC1ALDH1A1HTTGAARAB9A | |
| SCHEMBL8378539 | 0.79 | NPC1 (0.66) | NPC1ALDH1A1HTTADORA3CYP1A1 | |
| SCHEMBL6681453 | 0.79 | NPC1 (0.66) | NPC1ALDH1A1HTTADORA3CYP1A1 | |
| SCHEMBL10822459 | 0.79 | NPC1 (0.53) | NPC1ALDH1A1HTTGAAADORA2A | |
| SCHEMBL5351558 | 0.79 | CRHR1 (0.60) | NPC1ALDH1A1HTTGAAMAPK1 | |
| SCHEMBL6668063 | 0.78 | NPC1 (0.55) | NPC1ALDH1A1ADORA1KDM4EMEN1 | |
| SCHEMBL13658605 | 0.77 | ALDH1A1 (0.51) | NPC1ALDH1A1HTTGAAMAPK1 | |
| SCHEMBL13658604 | 0.77 | ALDH1A1 (0.51) | NPC1ALDH1A1HTTGAAMAPK1 |
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-4873242-A | NOOTROPIC AGENTS | NIPPON SHINYAKU CO., LTD. (JP) | 1989-10-10 | — | — | US | claimed |
| US-4873242-A | NOOTROPIC AGENTS | NIPPON SHINYAKU CO., LTD. (JP) | 1989-10-10 | — | — | US | disclosed |