Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.60 |
| ▸ | MEN1 | O00255 | 4/20 | 0.58 |
| ▸ | MAPT | P10636 | 4/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | CYP1A1 | P04798 | 6/20 | 0.55 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.53 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.53 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.53 |
| ▸ | CYP4B1 | P13584 | 3/20 | 0.53 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.53 |
| ▸ | CYP3A5 | P20815 | 3/20 | 0.53 |
| ▸ | CYP2A7 | P20853 | 3/20 | 0.53 |
| ▸ | CYP3A7 | P24462 | 3/20 | 0.53 |
| ▸ | CYP2F1 | P24903 | 3/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL30450715 | 1.00 | NPC1 (0.60) | NPC1MEN1MAPTKMT2ACYP1A1 | |
| SCHEMBL30450701 | 0.93 | NPC1 (0.52) | NPC1MEN1MAPTKMT2ACYP1A1 | |
| SCHEMBL29015025 | 0.93 | NPC1 (0.52) | NPC1MEN1MAPTKMT2ACYP1A1 | |
| SCHEMBL29014979 | 0.91 | NPC1 (0.50) | NPC1MEN1MAPTKMT2ACYP1A1 | |
| SCHEMBL30450668 | 0.91 | NPC1 (0.50) | NPC1MEN1MAPTKMT2ACYP1A1 | |
| SCHEMBL29014976 | 0.90 | CRHR1 (0.49) | NPC1MEN1MAPTKMT2ACYP1A1 | |
| SCHEMBL30450619 | 0.90 | CRHR1 (0.49) | NPC1MEN1MAPTKMT2ACYP1A1 | |
| SCHEMBL30451078 | 0.89 | CYP1A1 (0.55) | NPC1MEN1MAPTKMT2ACYP1A1 | |
| SCHEMBL29014980 | 0.87 | KMO (0.50) | NPC1MEN1MAPTKMT2ACYP1A1 | |
| SCHEMBL30450623 | 0.87 | CYP1A1 (0.47) | NPC1MEN1MAPTKMT2ACYP1A1 |
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-116253687-A | Diaryl pyrimidine compound and preparation method and application thereof | 复旦大学 | 2023-06-13 | — | — | CN | disclosed |