Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.41 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28713425 | 0.86 | NPC1 (0.61) | CYP2C19NPC1RAB9AMAOBCYP2D6 | |
| SCHEMBL29425693 | 0.84 | TBXAS1 (0.48) | CYP1A2CYP2C19CYP2C9CYP3A4NPC1 | |
| SCHEMBL28936705 | 0.84 | TBXAS1 (0.48) | CYP1A2CYP2C19CYP2C9CYP3A4NPC1 | |
| SCHEMBL28700880 | 0.83 | NPC1 (0.48) | CYP2C9NPC1RAB9AMAOBHDAC1 | |
| SCHEMBL28703131 | 0.83 | NPC1 (0.48) | NPC1RAB9AMAOBALDH1A1HDAC1 | |
| SCHEMBL28711559 | 0.82 | NPC1 (0.64) | NPC1RAB9AMAOBALDH1A1SMN1; SMN2 | |
| SCHEMBL28711497 | 0.82 | NPC1 (0.47) | NPC1RAB9AMAOBALDH1A1HDAC1 | |
| SCHEMBL28711503 | 0.82 | RAB9A (0.47) | NPC1RAB9AMAOBHDAC1HDAC6 | |
| SCHEMBL28709453 | 0.81 | F2RL1 (0.54) | NPC1RAB9AALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL28709456 | 0.81 | FFAR1 (0.54) | NPC1RAB9AMAOB |
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 |