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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL345273 | 0.91 | ALDH1A1 (0.48) | TDP1ALDH1A1CYP3A4TSHRKDM4E | |
| SCHEMBL3311690 | 0.91 | ALDH1A1 (0.48) | TDP1ALDH1A1CYP3A4TSHRKDM4E | |
| SCHEMBL14200093 | 0.75 | ALDH1A1 (0.43) | TDP1ALDH1A1TSHRKDM4EMEN1 | |
| SCHEMBL30389430 | 0.74 | ALDH1A1 (0.46) | TDP1ALDH1A1CYP3A4TSHRGAA | |
| SCHEMBL19214820 | 0.72 | CYP3A4 (0.36) | TDP1ALDH1A1CYP3A4TSHRMEN1 | |
| SCHEMBL23829919 | 0.72 | ALDH1A1 (0.47) | TDP1ALDH1A1CYP3A4TSHRGAA | |
| SCHEMBL2144876 | 0.72 | TSHR (0.50) | TDP1ALDH1A1CYP3A4TSHRMEN1 | |
| SCHEMBL826630 | 0.71 | TSHR (0.50) | TDP1ALDH1A1CYP3A4TSHRKDM4E | |
| SCHEMBL30749767 | 0.71 | HSD17B10 (0.48) | TDP1ALDH1A1CYP3A4TSHRKMT2A | |
| SCHEMBL3638370 | 0.70 | ALDH1A1 (0.52) | ALDH1A1TSHRMEN1NOS3NOS1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101180275-B | Tetrahydroindolone and tetrahydroindazolone derivatives | SERENEX INC | 2014-09-10 | — | — | CN | disclosed |
| CN-101180275-A | Tetrahydroindolone and tetrahydroindazolone derivatives | SERENEX INC (US) | 2008-05-14 | — | — | CN | disclosed |