Known targets — ChEMBL curated mechanism
ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol
The experimentally established mechanism targets of Pyritinol. 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 | |
|---|---|---|---|---|
| ▸ | HRH1 known ✓ | P35367 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 3/20 | 0.34 |
| ▸ | CTSB | P07858 | 3/20 | 0.34 |
| ▸ | CTSK | P43235 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| Bencyclane SCHEMBL1568812 | 0.80 | HRH1 (0.52) | HRH1CTSLCTSBCTSKKDM4E | |
| Bencyclane SCHEMBL220903 | 0.80 | HRH1 (0.52) | HRH1CTSLCTSBCTSKKDM4E | |
| Bencyclane SCHEMBL20505617 | 0.79 | HRH1 (0.51) | HRH1CTSLCTSBCTSKKDM4E | |
| Bencyclane SCHEMBL64881 | 0.72 | AQP3 (0.44) | HRH1CYP1A2CYP2D6CTSLCTSB | |
| Bencyclane SCHEMBL11215911 | 0.66 | HRH1 (0.38) | HRH1CTSLCTSBCTSKALDH1A1 | |
| Pyritinol SCHEMBL1305284 | 0.66 | KDM4E (0.71) | CYP1A2CYP2D6CYP2C19HIF1AKDM4E | |
| Pyritinol SCHEMBL1171682 | 0.66 | KDM4E (0.71) | CYP1A2CYP2D6CYP2C19HIF1AKDM4E | |
| Pyritinol SCHEMBL31418900 | 0.65 | KDM4E (0.69) | CYP1A2CYP2D6CYP2C19HIF1AKDM4E | |
| Pyritinol SCHEMBL30029763 | 0.65 | KDM4E (0.73) | CYP1A2CYP2D6CYP2C19HIF1AKDM4E | |
| Pyritinol SCHEMBL150551 | 0.65 | KDM4E (0.73) | CYP1A2CYP2D6CYP2C19HIF1AKDM4E |
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-4719212-A | ALZHEIMER'S DISEASE | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-01-12 | — | — | US | disclosed |