Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.52 |
| ▸ | RAB9A | P51151 | 7/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | PLAUR | Q03405 | 1/20 | 0.45 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | KHK | P50053 | 1/20 | 0.42 |
| ▸ | CDK4 | P11802 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2673686 | 0.80 | NPC1 (0.53) | NPC1RAB9AMEN1KMT2APDE10A | |
| SCHEMBL13049798 | 0.80 | NPC1 (0.53) | NPC1RAB9AMEN1KMT2APDE10A | |
| SCHEMBL13049799 | 0.80 | NPC1 (0.53) | NPC1RAB9AMEN1KMT2APDE10A | |
| SCHEMBL28912686 | 0.78 | GRIN1 (0.45) | NPC1MEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL16221852 | 0.77 | PLAUR (0.54) | NPC1RAB9AMEN1KMT2APLAUR | |
| SCHEMBL30637059 | 0.77 | MEN1 (0.57) | NPC1RAB9AMEN1KMT2APLAUR | |
| SCHEMBL29101812 | 0.77 | MEN1 (0.57) | NPC1RAB9AMEN1KMT2APLAUR | |
| SCHEMBL29981260 | 0.75 | NPC1 (0.53) | NPC1RAB9APDE10AALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL3889358 | 0.71 | PLAUR (0.47) | NPC1RAB9AMEN1KMT2APLAUR | |
| SCHEMBL28550422 | 0.70 | KDM4E (0.46) | NPC1RAB9AMEN1KMT2APDE10A |
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-108752325-B | Preparation method of 3-oxyalkyl quinoxaline-2 (1H) -ketone compound | 曲阜师范大学 | 2021-03-23 | — | — | CN | disclosed |