Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MET | P08581 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | F13A1 | P00488 | 1/20 | 0.32 |
| ▸ | TGM2 | P21980 | 1/20 | 0.32 |
| ▸ | TGM1 | P22735 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 2/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.32 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | BTK | Q06187 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29593595 | 1.00 | NPC1 (0.35) | NPC1MEN1KMT2AALDH1A1MET | |
| SCHEMBL16552757 | 1.00 | NPC1 (0.35) | NPC1MEN1KMT2AALDH1A1MET | |
| SCHEMBL19733015 | 1.00 | NPC1 (0.35) | NPC1MEN1KMT2AALDH1A1MET | |
| SCHEMBL15319706 | 1.00 | NPC1 (0.35) | NPC1MEN1KMT2AALDH1A1MET | |
| SCHEMBL15319507 | 0.93 | KMT2A (0.36) | MEN1KMT2AALDH1A1METMAPT | |
| SCHEMBL29759103 | 0.93 | KMT2A (0.36) | MEN1KMT2AALDH1A1METMAPT | |
| SCHEMBL31286129 | 0.93 | KMT2A (0.36) | MEN1KMT2AALDH1A1METMAPT | |
| SCHEMBL16552990 | 0.92 | NR1H2 (0.35) | MEN1KMT2AALDH1A1METMAPT | |
| SCHEMBL15319628 | 0.92 | NR1H2 (0.35) | MEN1KMT2AALDH1A1METMAPT | |
| SCHEMBL28718792 | 0.91 | NPC1 (0.37) | NPC1MEN1KMT2AALDH1A1MAPT |
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-2834239-B1 | HETEROBICYCLIC COMPOUNDS AS BETA-LACTAMASE INHIBITORS | ENTASIS THERAPEUTICS LTD (GB) | 2017-12-27 | — | — | EP | disclosed |