Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 4/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.52 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.46 |
| ▸ | RELA | Q04206 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL444455 | 1.00 | CYP1A1 (0.52) | CYP1A1CYP1B1CRHR1MEN1KMT2A | |
| SCHEMBL30451078 | 0.84 | CYP1A1 (0.55) | CYP1A1CYP1B1CRHR1MEN1KMT2A | |
| SCHEMBL31011620 | 0.84 | HSP90AA1 (0.45) | CRHR1MAPTTLR9TSHRGAA | |
| SCHEMBL31011585 | 0.84 | CCNT1 (0.40) | CYP1A1CYP1B1CRHR1MEN1KMT2A | |
| SCHEMBL31011609 | 0.84 | HSP90AA1 (0.45) | CRHR1MAPTTLR9TSHRGAA | |
| SCHEMBL25339277 | 0.83 | HSP90AA1 (0.55) | CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL31119002 | 0.83 | HSP90AA1 (0.55) | CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL31011660 | 0.82 | PDGFRB (0.41) | MEN1KMT2ANPC1RAB9AMAPT | |
| SCHEMBL28512792 | 0.82 | GSK3B (0.60) | CYP1A1CYP1B1CRHR1MEN1KMT2A | |
| SCHEMBL30507464 | 0.82 | 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 |