Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Tofimilast. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A known ✓ | P27815 | 17/20 | 0.86 |
| ▸ | PDE4B known ✓ | Q07343 | 17/20 | 0.86 |
| ▸ | PDE4D known ✓ | Q08499 | 17/20 | 0.86 |
| ▸ | PDE4C known ✓ | Q08493 | 16/20 | 0.75 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.86 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.86 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.86 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Tofimilast SCHEMBL230762 | 0.93 | PDE4A (1.00) | PDE4APDE4BPDE4DADORA3ADORA2A | |
| SCHEMBL210263 | 0.87 | PDE4A (1.00) | PDE4APDE4BPDE4DADORA3ADORA2A | |
| SCHEMBL6839751 | 0.78 | PDE4A (0.79) | PDE4APDE4BPDE4DADORA3ADORA2A | |
| SCHEMBL13111733 | 0.77 | PDE4A (0.70) | PDE4APDE4BPDE4DADORA3ADORA2A | |
| SCHEMBL6358572 | 0.74 | PDE4A (1.00) | PDE4APDE4BPDE4DADORA3ADORA2A | |
| SCHEMBL6052681 | 0.74 | PDE4A (0.66) | PDE4APDE4BPDE4DADORA3ADORA2A | |
| Tofimilast SCHEMBL3676458 | 0.69 | PDE4B (0.56) | PDE4APDE4BPDE4DADORA3ADORA2A | |
| Tofimilast SCHEMBL3676455 | 0.69 | PDE4B (0.56) | PDE4APDE4BPDE4DADORA3ADORA2A | |
| SCHEMBL7984019 | 0.64 | PDE4A (0.50) | PDE4APDE4BPDE4DADORA3ADORA2A | |
| SCHEMBL84865 | 0.64 | PDE4A (1.00) | PDE4APDE4BPDE4DADORA3ADORA2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2004261-A1 | MEDICAMENT DELIVERY DEVICE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-12-24 | — | — | EP | disclosed |
| WO-2007118341-A1 | MEDICAMENT DELIVERY DEVICE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-10-25 | — | — | WO | disclosed |