Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.69 |
| ▸ | HPGD | P15428 | 2/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | PDXK | O00764 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.45 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.44 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.44 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Pyritinol SCHEMBL31418900 | 0.97 | KDM4E (0.69) | KDM4EALDH1A1HPGDHSD17B10CYP1A2 | |
| Pyritinol SCHEMBL27485374 | 0.97 | KDM4E (0.69) | KDM4EALDH1A1HPGDHSD17B10CYP1A2 | |
| Pyritinol SCHEMBL30029763 | 0.97 | KDM4E (0.73) | KDM4EALDH1A1HPGDHSD17B10CYP1A2 | |
| Pyritinol SCHEMBL150551 | 0.97 | KDM4E (0.73) | KDM4EALDH1A1HPGDHSD17B10CYP1A2 | |
| Pyritinol SCHEMBL27894712 | 0.95 | KDM4E (0.71) | KDM4EALDH1A1HPGDHSD17B10CYP1A2 | |
| Pyritinol SCHEMBL27694053 | 0.95 | KDM4E (0.71) | KDM4EALDH1A1HPGDHSD17B10CYP1A2 | |
| Pyritinol SCHEMBL1171682 | 0.95 | KDM4E (0.71) | KDM4EALDH1A1HPGDHSD17B10CYP1A2 | |
| Pyritinol SCHEMBL28859426 | 0.95 | KDM4E (0.71) | KDM4EALDH1A1HPGDHSD17B10CYP1A2 | |
| Pyritinol SCHEMBL27694054 | 0.95 | KDM4E (0.71) | KDM4EALDH1A1HPGDHSD17B10CYP1A2 | |
| Pyritinol SCHEMBL1305284 | 0.95 | KDM4E (0.71) | KDM4EALDH1A1HPGDHSD17B10CYP1A2 |
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-100509787-C | New pharmaceutically acceptable salt of pyritinol, and a preparation method thereof | SHANDONG XUANZHU MEDICAL SCI T (CN) | 2009-07-08 | — | — | CN | disclosed |
| CN-101003509-A | New pharmic acceptable salt of pyritinol, and preparation method | HUANG ZHENHUA (CN) | 2007-07-25 | — | — | CN | disclosed |