Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D
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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | DAO | P14920 | 1/20 | 0.52 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 4/20 | 0.51 |
| ▸ | CES1 | P23141 | 4/20 | 0.51 |
| ▸ | RARB | P10826 | 6/20 | 0.49 |
| ▸ | NAAA | Q02083 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | RARA | P10276 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MTOR | P42345 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 SCHEMBL23045181 | 0.98 | TSHR (0.54) | TSHRDAONAPRTCES2CES1 | |
| Tetrabuthylammonium SCHEMBL108879 | 0.98 | TSHR (0.54) | TSHRDAONAPRTCES2CES1 | |
| Tetrabuthylammonium SCHEMBL28983967 | 0.96 | TSHR (0.52) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL10945586 | 0.95 | CES2 (0.50) | TSHRDAONAPRTCES2CES1 | |
| Tetrapentylammonium SCHEMBL10947994 | 0.94 | TSHR (0.54) | TSHRDAONAPRTCES2CES1 | |
| Tetrabuthylammonium SCHEMBL8579550 | 0.93 | NAAA (0.50) | TSHRDAONAPRTCES2CES1 | |
| Tetrahexylammonium SCHEMBL868317 | 0.93 | CES2 (0.54) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL9792086 | 0.93 | CES2 (0.54) | TSHRDAONAPRTCES2CES1 | |
| Tetrabuthylammonium SCHEMBL9513881 | 0.91 | SRD5A2 (0.60) | TSHRDAONAPRTCES2CES1 | |
| Tetrabuthylammonium SCHEMBL108444 | 0.90 | RARB (0.58) | TSHRRARBTP53PLA2G4BMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113046109-B | Preparation method and application of low-sulfur low-nitrogen environment-friendly asphalt | 山西中科化美科技有限责任公司 | 2021-12-07 | — | — | CN | claimed |
| CN-113046023-A | Preparation method and application of environment-friendly asphalt | 山西中科化美科技有限责任公司 | 2021-06-29 | — | — | CN | claimed |
| CN-113046109-A | Preparation method and application of low-sulfur low-nitrogen environment-friendly asphalt | 山西中科化美科技有限责任公司 | 2021-06-29 | — | — | CN | claimed |
| CN-113046109-B | Preparation method and application of low-sulfur low-nitrogen environment-friendly asphalt | 山西中科化美科技有限责任公司 | 2021-12-07 | — | — | CN | disclosed |
| CN-113046023-A | Preparation method and application of environment-friendly asphalt | 山西中科化美科技有限责任公司 | 2021-06-29 | — | — | CN | disclosed |
| CN-113046109-A | Preparation method and application of low-sulfur low-nitrogen environment-friendly asphalt | 山西中科化美科技有限责任公司 | 2021-06-29 | — | — | CN | disclosed |