Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol
The experimentally established mechanism targets of Diprobutine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 5/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | FDPS | P14324 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.31 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.30 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.30 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| Diprobutine SCHEMBL4929328 | 1.00 | HCAR2 (0.36) | HCAR2TSHRTP53EGLN1EGLN3 | |
| Diprobutine SCHEMBL4929342 | 1.00 | HCAR2 (0.36) | HCAR2TSHRTP53EGLN1EGLN3 | |
| Fumaric Acid SCHEMBL4928186 | 0.93 | HCAR2 (0.38) | HCAR2FDPS | |
| Fumaric Acid SCHEMBL4925158 | 0.89 | HCAR2 (0.40) | HCAR2FDPS | |
| Fumaric Acid SCHEMBL4927201 | 0.89 | HCAR2 (0.40) | HCAR2FDPS | |
| Fumaric Acid SCHEMBL4925145 | 0.89 | HCAR2 (0.40) | HCAR2FDPS | |
| Fumaric Acid SCHEMBL4926533 | 0.86 | HCAR2 (0.40) | HCAR2FDPS | |
| Fumaric Acid SCHEMBL4926343 | 0.85 | HCAR2 (0.36) | HCAR2TSHRTP53EGLN1EGLN3 | |
| Fumaric Acid SCHEMBL4926329 | 0.85 | HCAR2 (0.36) | HCAR2TSHRTP53EGLN1EGLN3 | |
| Fumaric Acid SCHEMBL4929182 | 0.85 | HCAR2 (0.36) | HCAR2TSHRTP53EGLN1EGLN3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080312351-A1 | Tetraalkylammonium Carboxylate Salts as Trimerization Catalysts for Spray Foam Applications | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2008-12-18 | — | — | US | claimed |
| EP-2003157-A2 | Tetraalkylammonium carboxylate salts as trimerization catalysts for spray foam applications | Air Products and Chemicals, Inc. (US) | 2008-12-17 | — | — | EP | claimed |
| US-20080312351-A1 | Tetraalkylammonium Carboxylate Salts as Trimerization Catalysts for Spray Foam Applications | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2008-12-18 | — | — | US | disclosed |
| EP-2003157-A2 | Tetraalkylammonium carboxylate salts as trimerization catalysts for spray foam applications | Air Products and Chemicals, Inc. (US) | 2008-12-17 | — | — | EP | disclosed |