Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | POLB | P06746 | 3/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.52 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL2797868 | 0.92 | NPC1 (0.65) | NPC1GAARAB9AALDH1A1POLB | |
| SCHEMBL2795232 | 0.86 | NPC1 (0.61) | NPC1GAARAB9AALDH1A1POLB | |
| SCHEMBL5250976 | 0.82 | NPC1 (0.69) | NPC1GAARAB9AALDH1A1POLB | |
| SCHEMBL5902331 | 0.82 | NPC1 (0.65) | NPC1GAARAB9AALDH1A1POLB | |
| SCHEMBL933858 | 0.80 | NPC1 (0.67) | NPC1GAARAB9AALDH1A1POLB | |
| SCHEMBL16215809 | 0.79 | NPC1 (0.65) | NPC1GAARAB9AALDH1A1POLB | |
| SCHEMBL8288439 | 0.79 | NPC1 (0.65) | NPC1GAARAB9AALDH1A1POLB | |
| SCHEMBL7529534 | 0.79 | NPC1 (0.65) | NPC1GAARAB9AALDH1A1POLB | |
| SCHEMBL2176443 | 0.79 | NPC1 (0.65) | NPC1GAARAB9AALDH1A1POLB | |
| SCHEMBL27672313 | 0.79 | NPC1 (0.65) | NPC1GAARAB9AALDH1A1POLB |
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-2012109458-A1 | FLAVIN DERIVATIVES | BIORELIX, INC. (US) | 2012-08-16 | — | — | WO | disclosed |