Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 9/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HRH2 | P25021 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | MAN2B1 | O00754 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL25362872 | 0.93 | DRD2 (0.48) | DRD2TDP1MAOAMAOBMEN1 | |
| SCHEMBL28665379 | 0.90 | CACNA1H (0.48) | DRD2TDP1MAOAMAOBMEN1 | |
| SCHEMBL20480232 | 0.90 | CACNA1H (0.48) | DRD2TDP1MAOAMAOBMEN1 | |
| SCHEMBL20479436 | 0.90 | CACNA1H (0.48) | DRD2TDP1MAOAMAOBMEN1 | |
| SCHEMBL6700 | 0.87 | DRD2 (0.53) | DRD2TDP1MAOAMAOBMEN1 | |
| SCHEMBL3524057 | 0.82 | DRD2 (0.66) | DRD2TDP1MAOAMAOBMEN1 | |
| SCHEMBL25031746 | 0.82 | DRD2 (0.55) | DRD2TDP1MAOAMAOBMEN1 | |
| SCHEMBL14614740 | 0.81 | CACNA1H (0.53) | DRD2TDP1SIGMAR1 | |
| SCHEMBL24619896 | 0.80 | DRD2 (0.54) | DRD2TDP1MAOAMAOBMEN1 | |
| SCHEMBL4572542 | 0.80 | DRD2 (0.60) | DRD2TDP1MAOAMAOBMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023116761-A1 | PYRIMIDINE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE | 英矽智能科技知识产权有限公司 | 2023-06-29 | — | — | WO | disclosed |