Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Tert-Butylamine. 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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 9/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 8/20 | 0.47 |
| ▸ | CHRM4 | P08173 | 8/20 | 0.47 |
| ▸ | CHRM5 | P08912 | 8/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 8/20 | 0.47 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | BCL2 | P10415 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | SCN1A | P35498 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4862217 | 0.92 | SMN1; SMN2 (0.59) | SMN1; SMN2SIGMAR1CHRM3CHRM2CHRM4 | |
| Butylamine SCHEMBL9107548 | 0.83 | KIF11 (0.53) | SMN1; SMN2SIGMAR1CHRM3CHRM2CHRM4 | |
| SCHEMBL8370180 | 0.81 | KCNN4 (0.44) | SMN1; SMN2SIGMAR1CHRM3CHRM2CHRM4 | |
| SCHEMBL5159643 | 0.79 | SIGMAR1 (0.62) | SMN1; SMN2SIGMAR1CHRM3CHRM2CHRM4 | |
| Hydrochloric Acid SCHEMBL326016 | 0.79 | SMN1; SMN2 (0.46) | SMN1; SMN2SIGMAR1CHRM3CHRM2CHRM4 | |
| SCHEMBL10617967 | 0.79 | CYP2C19 (0.46) | SMN1; SMN2SIGMAR1LMNATAAR1 | |
| SCHEMBL297345 | 0.79 | CYP2C19 (0.46) | SMN1; SMN2SIGMAR1LMNATAAR1 | |
| SCHEMBL28076878 | 0.78 | KIF11 (0.55) | SMN1; SMN2SIGMAR1CHRM3CHRM2CHRM4 | |
| SCHEMBL28076876 | 0.78 | KIF11 (0.55) | SMN1; SMN2SIGMAR1CHRM3CHRM2CHRM4 | |
| SCHEMBL560935 | 0.78 | SMN1; SMN2 (0.61) | SMN1; SMN2SIGMAR1CHRM3CHRM2CHRM4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995010270-A1 | METHOD FOR TREATING URINARY INCONTINENCE USING OPTICALLY PURE S-TERODILINE | SEPRACOR, INC. (US) | 1995-04-20 | — | — | WO | claimed |
| US-5492933-A | SIDE EFFECT REDUCTION | SEPRACOR, INC. (US) | 1996-02-20 | — | — | US | disclosed |
| WO-1995010270-A1 | METHOD FOR TREATING URINARY INCONTINENCE USING OPTICALLY PURE S-TERODILINE | SEPRACOR, INC. (US) | 1995-04-20 | — | — | WO | disclosed |
| WO-1995010269-A1 | TREATMENT OF URINARY INCONTINENCE AND OTHER DISORDERS WITH R-TERODILINE AND HYDROXYLATED DERIVATIVES THEREOF | SEPRACOR, INC. (US) | 1995-04-20 | — | — | WO | disclosed |