Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 9/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29425693 | 1.00 | TBXAS1 (0.48) | TBXAS1IDO1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL28715749 | 0.84 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2C9CYP2C19NPC1 | |
| SCHEMBL28713425 | 0.82 | NPC1 (0.61) | CYP2C19NPC1RAB9AMAOB | |
| SCHEMBL28703131 | 0.77 | NPC1 (0.48) | NPC1RAB9AMAOB | |
| SCHEMBL28700880 | 0.77 | NPC1 (0.48) | CYP2C9NPC1RAB9AMAOB | |
| SCHEMBL16310778 | 0.76 | TBXAS1 (0.58) | TBXAS1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28711503 | 0.75 | RAB9A (0.47) | NPC1RAB9AMAOB | |
| SCHEMBL28711559 | 0.75 | NPC1 (0.64) | NPC1RAB9AMAOB | |
| SCHEMBL28711497 | 0.75 | NPC1 (0.47) | NPC1RAB9AMAOB | |
| SCHEMBL29425701 | 0.75 | KDM4E (0.50) | 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 |