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 | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 4/20 | 0.44 |
| ▸ | ACP3 | P15309 | 1/20 | 0.43 |
| ▸ | PNMT | P11086 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| Tert-Butylamine SCHEMBL27690523 | 0.85 | PPARG (0.49) | IDO1TDO2PPARGACP3PNMT | |
| SCHEMBL28444437 | 0.79 | ACP3 (0.51) | L3MBTL1ATMIDO1TDO2PPARG | |
| SCHEMBL27671576 | 0.79 | PPARG (0.53) | IDO1TDO2PPARGACP3PNMT | |
| SCHEMBL14806648 | 0.77 | L3MBTL1 (0.57) | L3MBTL1ATMALDH1A1GAAKMT2A | |
| SCHEMBL27690525 | 0.77 | PNMT (0.49) | ATMIDO1TDO2ACP3PNMT | |
| SCHEMBL27690520 | 0.75 | PNMT (0.47) | IDO1TDO2PPARGACP3PNMT | |
| SCHEMBL6685970 | 0.73 | KDM4E (0.49) | L3MBTL1ACP3PNMTALDH1A1GAA | |
| SCHEMBL13374115 | 0.72 | PPARG (0.77) | L3MBTL1PPARGALDH1A1PPARASMN1; SMN2 | |
| SCHEMBL5729788 | 0.70 | CES2 (0.49) | L3MBTL1IDO1TDO2ACP3PNMT | |
| SCHEMBL5083539 | 0.70 | PPARG (0.80) | IDO1TDO2PPARGACP3ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5321000-A | Benzhydryl compounds as herbicide antidotes | MONSANTO COMPANY (US) | 1994-06-14 | — | — | US | disclosed |