Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Pulegone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | HPGD | P15428 | 4/20 | 0.34 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | TLR4 | O00206 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.30 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Pulegone SCHEMBL8836781 | 1.00 | ALDH1A1 (0.34) | ALDH1A1HPGDPTPN2PTPN1HTT | |
| Pulegone SCHEMBL3064832 | 0.98 | PTPN2 (0.35) | ALDH1A1HPGDPTPN2PTPN1HTT | |
| Pulegone SCHEMBL58181 | 0.98 | PTPN2 (0.35) | ALDH1A1HPGDPTPN2PTPN1HTT | |
| Pulegone SCHEMBL38305 | 0.98 | PTPN2 (0.35) | ALDH1A1HPGDPTPN2PTPN1HTT | |
| Pulegone SCHEMBL23752046 | 0.96 | ALDH1A1 (0.34) | ALDH1A1HPGDPTPN2PTPN1HTT | |
| Pulegone SCHEMBL9292430 | 0.96 | PTPN2 (0.38) | ALDH1A1HPGDPTPN2PTPN1HTT | |
| Pulegone SCHEMBL27243547 | 0.96 | ALDH1A1 (0.34) | ALDH1A1HPGDPTPN2PTPN1HTT | |
| Pulegone SCHEMBL8196865 | 0.86 | CYP1A2 (0.36) | ALDH1A1HPGDPTPN1KDM4ENPC1 | |
| Pulegone SCHEMBL6517913 | 0.84 | — | — | |
| Pulegone SCHEMBL17963980 | 0.81 | TLR4 (0.31) | TLR4NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5641784-A | ADENOSINE ANTAGONISTS; TREATMENT OF NERVOUS SYSTEM DISORDERS, ALZHEIMER'S DISEASE | BOEHRINGER INGELHEIM KG (DE) | 1997-06-24 | — | — | US | disclosed |