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 | |
|---|---|---|---|---|
| ▸ | EPOR | P19235 | 2/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 7/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.38 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CXCL8 | P10145 | 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 | |
|---|---|---|---|---|
| SCHEMBL7107404 | 0.95 | EPOR (0.47) | EPORPTGS1CACNA1BPTGS2MAPT | |
| SCHEMBL7109248 | 0.95 | EPOR (0.47) | EPORPTGS1CACNA1BPTGS2MAPT | |
| Tert-Butylamine SCHEMBL7107931 | 0.83 | CACNA1B (0.48) | EPORCACNA1BMAOB | |
| Tert-Butylamine SCHEMBL7659363 | 0.83 | CACNA1B (0.48) | EPORCACNA1BMAOB | |
| SCHEMBL7111904 | 0.82 | EPOR (0.46) | EPORPTGS1PTGS2MAPTALDH1A1 | |
| Tert-Butylamine SCHEMBL7112471 | 0.81 | EPOR (0.46) | EPORPTGS1PTGS2SMN1; SMN2KDM4E | |
| Tert-Butylamine SCHEMBL7657269 | 0.80 | CYP4F2 (0.39) | EPORCACNA1BAKR1C3MAOB | |
| Tert-Butylamine SCHEMBL7657274 | 0.80 | CYP4F2 (0.39) | EPORCACNA1BAKR1C3MAOB | |
| Tert-Butylamine SCHEMBL7657275 | 0.78 | HDAC3 (0.39) | EPORCACNA1BMAPTSMN1; SMN2MAPK1 | |
| SCHEMBL7107759 | 0.78 | MMP1 (0.47) | EPORMAPTLMNAMEN1KMT2A |
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-1013639-B1 | Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit | HOFFMANN LA ROCHE (CH) | 2003-10-01 | — | — | EP | disclosed |
| EP-1013639-A1 | Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit | F. HOFFMANN-LA ROCHE AG (CH) | 2000-06-28 | — | — | EP | disclosed |