Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.69 |
| ▸ | RAB9A | P51151 | 3/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.69 |
| ▸ | EGFR | P00533 | 1/20 | 0.66 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.62 |
| ▸ | GAA | P10253 | 2/20 | 0.61 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.54 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.53 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL2023724 | 0.91 | NPC1 (0.54) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27447692 | 0.83 | NPC1 (0.76) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL26885232 | 0.83 | NPC1 (0.81) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4642544 | 0.82 | NPC1 (1.00) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30184438 | 0.82 | NPC1 (1.00) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3659724 | 0.81 | RAB9A (0.84) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7539037 | 0.81 | NPC1 (0.78) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3679744 | 0.80 | RAB9A (0.76) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30735621 | 0.80 | RAB9A (0.76) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29124091 | 0.80 | NPC1 (0.76) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115433166-B | Selective butyrylcholinesterase inhibitor and preparation method and application thereof | 山东大学 | 2023-09-12 | — | — | CN | disclosed |
| CN-115433166-A | Selective butyrylcholinesterase inhibitor and preparation method and application thereof | 山东大学 | 2022-12-06 | — | — | CN | disclosed |