Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
The experimentally established mechanism targets of Dipyrithione. 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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 5/20 | 0.91 |
| ▸ | HTT | P42858 | 2/20 | 0.91 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | PCTP | Q9UKL6 | 1/20 | 0.37 |
| ▸ | STARD10 | Q9Y365 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Dipyrithione SCHEMBL6034282 | 0.98 | LMNA (0.95) | LMNAHTTSLC2A1KDM4ETDP1 | |
| Dipyrithione SCHEMBL11186901 | 0.95 | LMNA (0.91) | LMNAHTTSLC2A1KDM4ETDP1 | |
| Dipyrithione SCHEMBL21165 | 0.95 | LMNA (1.00) | LMNAHTTSLC2A1KDM4ETDP1 | |
| Dipyrithione SCHEMBL29364114 | 0.95 | LMNA (1.00) | LMNAHTTSLC2A1KDM4ETDP1 | |
| Dipyrithione SCHEMBL22471518 | 0.93 | LMNA (0.95) | LMNAHTTSLC2A1KDM4ETDP1 | |
| Dipyrithione SCHEMBL10973086 | 0.93 | LMNA (0.95) | LMNAHTTSLC2A1KDM4ETDP1 | |
| Dipyrithione SCHEMBL2405182 | 0.93 | LMNA (0.95) | LMNAHTTSLC2A1KDM4ETDP1 | |
| Dipyrithione SCHEMBL10968452 | 0.93 | LMNA (0.95) | LMNAHTTSLC2A1KDM4ETDP1 | |
| Dipyrithione SCHEMBL11044641 | 0.93 | LMNA (0.95) | LMNAHTTSLC2A1KDM4ETDP1 | |
| Dipyrithione SCHEMBL11180862 | 0.91 | LMNA (0.91) | LMNAHTTSLC2A1KDM4ETDP1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4370325-A | BIS/2-PYRIDYL-1-OXIDE/ DISULFIDE OR ADDUCTS, EPHTHAMOLOGY, EARS/BIOLOGICAL/ | DERMIK LABORATORIES (US) | 1983-01-25 | — | — | US | disclosed |
| US-4235873-A | BIS-(2-PYRIDYL-N-OXIDE) DISULFIDE ADDUCTS | DERMIK LABORATORIES (US) | 1980-11-25 | — | — | US | disclosed |
| US-4163783-A | ACID AND A BIS/2-PYRIDYL-1-OXIDE/DISULFIDE | KLEIN ROBERT W | 1979-08-07 | — | — | US | disclosed |
| US-4152430-A | ANTIINFLAMMATORY AGENTS | WILLIAM H. RORER, INC. (US) | 1979-05-01 | — | — | US | disclosed |
| US-4152431-A | ANTIINFLAMMATORY AGENTS | WILLIAM H. RORER, INC. (US) | 1979-05-01 | — | — | US | disclosed |
| US-4137311-A | CORTICOSTEROIDS, METAL ADDUCTS OF BIS(2-PYRIDYL-1-OXIDE)-DISULFIDE; DERMATITIS, ANTIINFLAMMATORY | WILLIAM H. RORER, INC. (US) | 1979-01-30 | — | — | US | disclosed |