Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2RL1 | P55085 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 4/20 | 0.54 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.51 |
| ▸ | RELA | Q04206 | 1/20 | 0.51 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.50 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.48 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.46 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.46 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.46 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL28703131 | 0.85 | NPC1 (0.48) | NPC1RAB9AALDH1A1POLBMAPT | |
| SCHEMBL28700880 | 0.85 | NPC1 (0.48) | NPC1RAB9ASLC5A1SLC5A2FFAR1 | |
| SCHEMBL28713425 | 0.84 | NPC1 (0.61) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL28711497 | 0.84 | NPC1 (0.47) | NPC1RAB9ASLC5A1SLC5A2ALDH1A1 | |
| SCHEMBL28711559 | 0.84 | NPC1 (0.64) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL28711503 | 0.84 | RAB9A (0.47) | NPC1RAB9AFFAR1 | |
| SCHEMBL28711495 | 0.83 | KMT2A (0.49) | NPC1ALDH1A1MAPTSMN1; SMN2LMNA | |
| SCHEMBL29425662 | 0.83 | KMT2A (0.49) | NPC1ALDH1A1MAPTSMN1; SMN2LMNA | |
| SCHEMBL28709456 | 0.82 | FFAR1 (0.54) | NPC1RAB9AFFAR1 | |
| SCHEMBL28715749 | 0.81 | CYP1A2 (0.48) | NPC1RAB9AALDH1A1SMN1; SMN2LMNA |
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-114213307-A | Preparation method of N-alkyl substituted pyrrolidone compound | 河南农业大学 | 2022-03-22 | — | — | CN | disclosed |