Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 6/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.33 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.33 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.33 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL3280653 | 0.80 | — | — | |
| SCHEMBL29953071 | 0.73 | GRIA1 (0.41) | ERN1CYP2A6TDP1ALDH1A1GRIA1 | |
| SCHEMBL27642153 | 0.66 | NPC1 (0.68) | TDP1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL6291555 | 0.64 | CYP2A6 (0.52) | CYP2A6TDP1ALDH1A1MAPTGRIA1 | |
| SCHEMBL29556939 | 0.64 | TDP1 (0.52) | ERN1TDP1ALDH1A1MAPTGRIA1 | |
| SCHEMBL1953389 | 0.64 | TDP1 (0.52) | ERN1TDP1ALDH1A1MAPTGRIA1 | |
| SCHEMBL3134002 | 0.64 | TDP1 (0.59) | ERN1TDP1ALDH1A1MAPTMEN1 | |
| SCHEMBL20571353 | 0.63 | ALDH1A1 (0.42) | ERN1CYP2A6TDP1ALDH1A1MAPT | |
| SCHEMBL3022264 | 0.63 | HCAR2 (0.41) | CYP2A6ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL5917932 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |