Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 5/20 | 0.55 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.52 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.49 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP4B1 | P13584 | 2/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.49 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.49 |
| ▸ | CYP2A7 | P20853 | 2/20 | 0.49 |
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 | 0.89 | NPC1 (0.60) | CYP1A1CYP1B1ADORA3CRHR1CYP1A2 | |
| SCHEMBL29014990 | 0.89 | NPC1 (0.60) | CYP1A1CYP1B1ADORA3CRHR1CYP1A2 | |
| SCHEMBL30450701 | 0.86 | NPC1 (0.52) | CYP1A1CYP1B1CRHR1CYP1A2CYP3A4 | |
| SCHEMBL29015025 | 0.86 | NPC1 (0.52) | CYP1A1CYP1B1CRHR1CYP1A2CYP3A4 | |
| SCHEMBL30450623 | 0.85 | CYP1A1 (0.47) | CYP1A1CYP1B1ADORA3CRHR1CYP1A2 | |
| SCHEMBL29014978 | 0.85 | CYP1A1 (0.47) | CYP1A1CYP1B1ADORA3CRHR1CYP1A2 | |
| SCHEMBL444455 | 0.84 | CYP1A1 (0.52) | CYP1A1CYP1B1ADORA3CRHR1CYP1A2 | |
| SCHEMBL30450157 | 0.84 | CYP1A1 (0.52) | CYP1A1CYP1B1ADORA3CRHR1CYP1A2 | |
| SCHEMBL30507464 | 0.84 | GSK3B (0.60) | CYP1A1CYP1B1CRHR1MEN1KMT2A | |
| SCHEMBL28512792 | 0.84 | GSK3B (0.60) | CYP1A1CYP1B1CRHR1MEN1KMT2A |
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 |