Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Tetrabuthylammonium. 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 | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 5/20 | 0.37 |
| ▸ | CASP7 | P55210 | 5/20 | 0.37 |
| ▸ | CASP1 | P29466 | 3/20 | 0.37 |
| ▸ | FKBP1A | P62942 | 3/20 | 0.37 |
| ▸ | CASP6 | P55212 | 1/20 | 0.37 |
| ▸ | BDKRB1 | P46663 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP7 | P09237 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.33 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.33 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.33 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.33 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Tetrabuthylammonium SCHEMBL2204013 | 0.98 | CASP3 (0.37) | CASP3CASP7CASP1FKBP1ACASP6 | |
| Tetrabuthylammonium SCHEMBL2204016 | 0.92 | FKBP1A (0.36) | CASP3CASP7CASP1FKBP1ACASP6 | |
| SCHEMBL3764045 | 0.84 | BDKRB1 (0.41) | CASP3CASP7FKBP1ABDKRB1RAB9A | |
| SCHEMBL3764050 | 0.84 | BDKRB1 (0.41) | CASP3CASP7FKBP1ABDKRB1RAB9A | |
| SCHEMBL700919 | 0.82 | BDKRB1 (0.41) | CASP3CASP7FKBP1ABDKRB1RAB9A | |
| SCHEMBL2567152 | 0.81 | BDKRB1 (0.40) | CASP3CASP7FKBP1ABDKRB1RAB9A | |
| SCHEMBL2560595 | 0.79 | RAB9A (0.43) | CASP3CASP7BDKRB1RAB9ANPC1 | |
| SCHEMBL702106 | 0.78 | CASP3 (0.41) | CASP3FKBP1ABDKRB1RAB9ANPC1 | |
| SCHEMBL702105 | 0.78 | CASP3 (0.41) | CASP3FKBP1ABDKRB1RAB9ANPC1 | |
| SCHEMBL14411635 | 0.77 | RAB9A (0.41) | CASP3CASP7CASP1CASP6BDKRB1 |
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-2344457-A1 | SUBSTITUTED SPIROAMINES | Grünenthal GmbH (DE) | 2011-07-20 | — | — | EP | disclosed |
| WO-2010049146-A1 | SUBSTITUTED SPIROAMINES | Grünenthal GmbH (DE) | 2010-05-06 | — | — | WO | disclosed |