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 | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 4/20 | 0.49 |
| ▸ | PNMT | P11086 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.47 |
| ▸ | ACP3 | P15309 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL27671576 | 0.94 | PPARG (0.53) | PPARGPNMTIDO1TDO2ACP3 | |
| Tert-Butylamine SCHEMBL9291901 | 0.85 | L3MBTL1 (0.46) | PPARGPNMTIDO1TDO2ACP3 | |
| SCHEMBL23043854 | 0.80 | PPARG (0.51) | PPARGPNMTIDO1TDO2ACP3 | |
| SCHEMBL29684562 | 0.80 | PPARG (0.51) | PPARGPNMTIDO1TDO2ACP3 | |
| SCHEMBL31736053 | 0.80 | PPARG (0.51) | PPARGPNMTIDO1TDO2ACP3 | |
| SCHEMBL6685970 | 0.79 | KDM4E (0.49) | PNMTACP3CES2NPSR1KDM4E | |
| SCHEMBL27690525 | 0.78 | PNMT (0.49) | PNMTIDO1TDO2ACP3CES2 | |
| SCHEMBL17724503 | 0.77 | KDM4E (0.60) | IDO1TDO2CES2KDM4EALDH1A1 | |
| SCHEMBL7341580 | 0.77 | PNMT (0.51) | PPARGPNMTIDO1TDO2ACP3 | |
| SCHEMBL10334601 | 0.77 | IDO1 (0.56) | PPARGPNMTIDO1TDO2ACP3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-87102879-A | Benzhydryl compounds as herbicide antidotes | — | 1987-10-28 | — | — | CN | claimed |