Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.53 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.53 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.53 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.53 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.53 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.53 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.53 |
| ▸ | CYP4F2 | P78329 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29014969 | 1.00 | MEN1 (0.55) | MEN1KMT2ACYP1A1CYP1A2CYP2E1 | |
| SCHEMBL30450773 | 0.88 | NPC1 (0.64) | MEN1KMT2ACYP1A1CYP1A2CYP2E1 | |
| SCHEMBL29014966 | 0.88 | NPC1 (0.64) | MEN1KMT2ACYP1A1CYP1A2CYP2E1 | |
| SCHEMBL30450288 | 0.87 | EGFR (0.63) | MEN1KMT2ACYP1A1CYP1A2CYP2E1 | |
| SCHEMBL29015004 | 0.87 | EGFR (0.63) | MEN1KMT2ACYP1A1CYP1A2CYP2E1 | |
| SCHEMBL30451034 | 0.85 | CYP1A1 (0.49) | MEN1KMT2ACYP1A1CYP1A2CYP2E1 | |
| SCHEMBL29014973 | 0.85 | CYP1A1 (0.49) | MEN1KMT2ACYP1A1CYP1A2CYP2E1 | |
| SCHEMBL30450679 | 0.83 | TUBB4A (0.53) | MEN1KMT2ACYP1A1CYP1A2CYP2E1 | |
| SCHEMBL29014985 | 0.83 | TUBB4A (0.53) | MEN1KMT2ACYP1A1CYP1A2CYP2E1 | |
| SCHEMBL29014963 | 0.82 | CYP1A1 (0.49) | MEN1KMT2ACYP1A1CYP1A2CYP2E1 |
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 |