Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Pyrimethamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.97 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.97 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.97 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.97 |
| ▸ | HEXA | P06865 | 6/20 | 0.97 |
| ▸ | HEXB | P07686 | 6/20 | 0.97 |
| ▸ | DHFR | P00374 | 5/20 | 0.97 |
| ▸ | MEN1 | O00255 | 1/20 | 0.97 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.97 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.97 |
| ▸ | LMNA | P02545 | 1/20 | 0.97 |
| ▸ | TP53 | P04637 | 1/20 | 0.97 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.97 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.97 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.97 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.97 |
| ▸ | HTR2A | P28223 | 1/20 | 0.97 |
| ▸ | HTR2B | P41595 | 1/20 | 0.97 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.97 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.97 |
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 | |
|---|---|---|---|---|
| Pyrimethamine SCHEMBL15516970 | 0.98 | HEXA (1.00) | HEXAHEXBDHFRMEN1SLC22A1 | |
| Pyrimethamine SCHEMBL29381161 | 0.98 | HEXA (1.00) | HEXAHEXBDHFRMEN1SLC22A1 | |
| Pyrimethamine SCHEMBL25129 | 0.98 | HEXA (1.00) | HEXAHEXBDHFRMEN1SLC22A1 | |
| Pyrimethamine SCHEMBL8086889 | 0.97 | HEXA (0.97) | HEXAHEXBDHFRMEN1SLC22A1 | |
| Pyrimethamine SCHEMBL28347069 | 0.97 | HEXA (0.97) | HEXAHEXBDHFRMEN1SLC22A1 | |
| Pyrimethamine SCHEMBL11709944 | 0.97 | HEXA (0.97) | HEXAHEXBDHFRMEN1SLC22A1 | |
| Pyrimethamine SCHEMBL27731084 | 0.90 | HEXA (0.83) | HEXAHEXBDHFRMEN1SLC22A1 | |
| Pyrimethamine SCHEMBL21382838 | 0.89 | HEXA (0.81) | HEXAHEXBDHFRMEN1SLC22A1 | |
| Pyrimethamine SCHEMBL30439479 | 0.89 | HEXA (0.81) | HEXAHEXBDHFRMEN1SLC22A1 | |
| Pyrimethamine SCHEMBL10747171 | 0.86 | HEXA (0.77) | HEXAHEXBDHFRMEN1SLC22A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115038451-A | Multimodal compositions and methods of treatment | 阿奎斯蒂弗医疗股份有限公司 | 2022-09-09 | — | — | CN | disclosed |
| CN-115003279-A | Prodrug compositions and methods of treatment | 阿奎斯蒂弗医疗股份有限公司 | 2022-09-02 | — | — | CN | disclosed |