Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.55 |
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | POLB | P06746 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | CASP1 | P29466 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | PLK1 | P53350 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16633189 | 0.85 | NPC1 (0.57) | ALDH1A1NPC1POLBRAB9AMAPT | |
| SCHEMBL360458 | 0.85 | NPC1 (0.57) | ALDH1A1NPC1POLBRAB9AMAPT | |
| SCHEMBL29952779 | 0.85 | NPC1 (0.57) | ALDH1A1NPC1POLBRAB9AMAPT | |
| Water SCHEMBL29954172 | 0.84 | NPC1 (0.55) | ALDH1A1NPC1POLBRAB9AMAPT | |
| Hydrochloric Acid SCHEMBL29952307 | 0.84 | NPC1 (0.55) | ALDH1A1NPC1POLBRAB9AMAPT | |
| SCHEMBL12488527 | 0.81 | NPC1 (0.52) | ALDH1A1NPC1POLBRAB9AMAPT | |
| SCHEMBL14979413 | 0.72 | CA1 (0.68) | ALDH1A1HSD17B10 | |
| Ethane SCHEMBL9847485 | 0.72 | ALDH1A1 (0.66) | ALDH1A1NPC1POLBRAB9AMAPT | |
| SCHEMBL188108 | 0.71 | UGT2B7 (0.56) | ALDH1A1NPC1POLBRAB9AMAPT | |
| SCHEMBL30745165 | 0.71 | UGT2B7 (0.56) | ALDH1A1NPC1POLBRAB9AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2588451-B1 | PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS | BOEHRINGER INGELHEIM INT (DE) | 2015-12-30 | — | — | EP | disclosed |