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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B known ✓ | Q07343 | 20/20 | 0.56 |
| ▸ | PDE4A known ✓ | P27815 | 13/20 | 0.56 |
| ▸ | PDE4D known ✓ | Q08499 | 13/20 | 0.56 |
| ▸ | PDE4C known ✓ | Q08493 | 12/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | VEGFA | P15692 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 SCHEMBL3676458 | 1.00 | PDE4B (0.56) | PDE4BPDE4APDE4DADORA3ADORA2A | |
| SCHEMBL3632907 | 0.75 | PDE4B (0.64) | PDE4BPDE4APDE4DPDE4CCYP3A4 | |
| SCHEMBL185270 | 0.75 | PDE4B (0.64) | PDE4BPDE4APDE4DPDE4CCYP3A4 | |
| SCHEMBL525130 | 0.75 | PDE4B (0.64) | PDE4BPDE4APDE4DPDE4CCYP3A4 | |
| SCHEMBL185272 | 0.75 | PDE4B (0.64) | PDE4BPDE4APDE4DPDE4CCYP3A4 | |
| SCHEMBL185568 | 0.75 | PDE4B (0.64) | PDE4BPDE4APDE4DPDE4CCYP3A4 | |
| SCHEMBL31396436 | 0.75 | PDE4B (0.64) | PDE4BPDE4APDE4DPDE4CCYP3A4 | |
| SCHEMBL185567 | 0.75 | PDE4B (0.64) | PDE4BPDE4APDE4DPDE4CCYP3A4 | |
| SCHEMBL31396386 | 0.75 | PDE4B (0.64) | PDE4BPDE4APDE4DPDE4CCYP3A4 | |
| SCHEMBL185271 | 0.75 | PDE4B (0.64) | PDE4BPDE4APDE4DPDE4CCYP3A4 |
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-2167177-A1 | TEST DEVICE | Boehringer Ingelheim International GmbH (DE) | 2010-03-31 | — | — | EP | disclosed |
| WO-2009012961-A1 | TEST DEVICE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-01-29 | — | — | WO | disclosed |