Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.54 |
| ▸ | RAB9A | P51151 | 6/20 | 0.54 |
| ▸ | PKM | P14618 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | FLT3 | P36888 | 1/20 | 0.47 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.47 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29740123 | 0.87 | NPC1 (0.70) | NPC1RAB9APKMGAAKDM4E | |
| SCHEMBL114271 | 0.87 | NPC1 (0.70) | NPC1RAB9APKMGAAKDM4E | |
| Bromide SCHEMBL11460022 | 0.85 | NPC1 (0.68) | NPC1RAB9APKMGAAKDM4E | |
| Hydrochloric Acid SCHEMBL29440615 | 0.85 | NPC1 (0.68) | NPC1RAB9APKMGAAKDM4E | |
| Bicarbonate SCHEMBL4653075 | 0.83 | RAB9A (0.66) | NPC1RAB9APKMGAAKDM4E | |
| SCHEMBL28116585 | 0.82 | GAA (0.65) | NPC1RAB9APKMGAAKDM4E | |
| Pyrrole SCHEMBL28303547 | 0.81 | GAA (0.59) | NPC1RAB9APKMGAAKDM4E | |
| Pyridine SCHEMBL2156456 | 0.80 | RAB9A (0.61) | NPC1RAB9APKMGAAKDM4E | |
| Trifluoroacetic Acid SCHEMBL29744959 | 0.79 | KDM4E (0.58) | NPC1RAB9APKMGAAKDM4E | |
| Trifluoroacetic Acid SCHEMBL29744737 | 0.79 | KDM4E (0.58) | NPC1RAB9APKMGAAKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-103601745-B | Preparation method of commonly used acetamidopyridine boronic acid pinacol ester | 大连联化化学有限公司 | 2017-01-18 | — | — | CN | claimed |