Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.57 |
| ▸ | MEN1 | O00255 | 4/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 4/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | GLA | P06280 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | RAD52 | P43351 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | KDM1A | O60341 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL28631670 | 0.89 | L3MBTL1 (0.66) | CYP2C19CYP3A4CYP2D6KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL16415805 | 0.89 | L3MBTL1 (0.66) | CYP2C19CYP3A4CYP2D6KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL31072204 | 0.89 | L3MBTL1 (0.66) | CYP2C19CYP3A4CYP2D6KMT2AMEN1 | |
| SCHEMBL3704422 | 0.83 | CYP2C19 (0.74) | CYP2C19CYP3A4CYP2D6KMT2AMEN1 | |
| Water SCHEMBL28295097 | 0.82 | CYP2C19 (0.72) | CYP2C19CYP3A4CYP2D6KMT2AMEN1 | |
| SCHEMBL29421921 | 0.81 | KDM4E (0.53) | CYP2C19CYP3A4CYP2D6KMT2AMEN1 | |
| SCHEMBL3175221 | 0.81 | CYP2C19 (0.80) | CYP2C19CYP3A4CYP2D6KMT2AMEN1 | |
| SCHEMBL14068495 | 0.81 | CYP2C19 (0.70) | CYP2C19CYP3A4CYP2D6KMT2AMEN1 | |
| SCHEMBL7976636 | 0.80 | KMT2A (0.65) | CYP2C19CYP3A4CYP2D6KMT2AMEN1 | |
| SCHEMBL2447004 | 0.79 | L3MBTL1 (0.44) | CYP2C19KMT2AMEN1L3MBTL1NPSR1 |
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-2020138979-A1 | COMPOUND, GRAPHENE CHANNEL MEMBER AND SENSOR COMPRISING SAME | 한국생명공학연구원 | 2020-07-02 | — | — | WO | disclosed |