Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 10/20 | 0.36 |
| ▸ | HTR2C | P28335 | 10/20 | 0.36 |
| ▸ | HTR2B | P41595 | 8/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 0.32 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24503001 | 0.82 | DPP4 (0.38) | HTR2AHTR2CHTR2BKDM1AKDM1B | |
| SCHEMBL3875287 | 0.82 | GPR84 (0.38) | HTR2AHTR2CHTR2BGPR84SLC6A4 | |
| SCHEMBL377235 | 0.80 | KDM1A (0.39) | HTR2AHTR2CHTR2BGPR84SLC6A4 | |
| SCHEMBL30474348 | 0.80 | KDM1A (0.39) | HTR2AHTR2CHTR2BGPR84SLC6A4 | |
| SCHEMBL488821 | 0.80 | GPR84 (0.37) | HTR2AHTR2CHTR2BGPR84SLC6A4 | |
| SCHEMBL3363763 | 0.77 | KDM1A (0.38) | HTR2AHTR2CHTR2BGPR84SLC6A4 | |
| SCHEMBL30871762 | 0.77 | KDM1A (0.47) | HTR2AHTR2CHTR2BKCNH2KDM1A | |
| SCHEMBL31266184 | 0.76 | GPR84 (0.37) | HTR2AHTR2CHTR2BGPR84KDM1A | |
| SCHEMBL693457 | 0.76 | GPR84 (0.37) | HTR2AHTR2CHTR2BGPR84KDM1A | |
| SCHEMBL24384653 | 0.75 | DHFR (0.32) | CYP1A2ALDH1A1 |
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-118791436-A | 2-Aminopyrimidine derivative and preparation method and application thereof | 中国科学院上海药物研究所 | 2024-10-18 | — | — | CN | disclosed |