Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3080839 | 0.77 | TRPA1 (0.37) | TRPA1 | |
| SCHEMBL3080841 | 0.77 | TRPA1 (0.37) | TRPA1 | |
| SCHEMBL3080834 | 0.77 | TRPA1 (0.37) | TRPA1 | |
| SCHEMBL13484715 | 0.74 | GAA (0.33) | TRPA1BLMPMP22CYP2C19 | |
| SCHEMBL11568050 | 0.70 | TSHR (0.32) | TSHRALDH1A1PMP22 | |
| SCHEMBL11568149 | 0.70 | — | — | |
| SCHEMBL11568057 | 0.70 | TET2 (0.38) | TSHRALDH1A1 | |
| SCHEMBL11572544 | 0.70 | TET2 (0.38) | TSHRALDH1A1 | |
| SCHEMBL11569044 | 0.69 | DGAT1 (0.33) | — | |
| Pivalate SCHEMBL28168153 | 0.65 | TSHR (0.47) | TSHRALDH1A1CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0728736-B1 | Process for the preparation of optically active tert-leucinol and use thereof | DEGUSSA (DE) | 1998-08-19 | — | — | EP | claimed |
| US-5723667-A | Method of producing optically active tert-leucinol and its use | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1998-03-03 | — | — | US | claimed |
| US-5723667-A | Method of producing optically active tert-leucinol and its use | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1998-03-03 | — | — | US | disclosed |
| US-5672753-A | Method of producing racemic amino alcohols | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1997-09-30 | — | — | US | disclosed |