Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Alanine. 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 | |
|---|---|---|---|---|
| ▸ | OR51E2 | Q9H255 | 2/20 | 0.40 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.40 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GABRR1 | P24046 | 4/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.35 |
| ▸ | GABRP | O00591 | 2/20 | 0.34 |
| ▸ | GABRD | O14764 | 2/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.34 |
| ▸ | GABRE | P78334 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Alanine SCHEMBL3438701 | 0.87 | ALDH1A1 (0.47) | OR51E2LMNAALDH1A1GABRR1USP2 | |
| Alanine SCHEMBL2781385 | 0.87 | ALDH1A1 (0.47) | OR51E2LMNAALDH1A1GABRR1USP2 | |
| Glycerin SCHEMBL8821885 | 0.85 | OR51E2 (0.50) | OR51E2GLRA1SLC6A9LMNAALDH1A1 | |
| Alanine SCHEMBL15322553 | 0.84 | PAX8 (0.41) | OR51E2LMNAALDH1A1USP2SLCO1B1 | |
| Glycerin SCHEMBL28921585 | 0.83 | OR51E2 (0.48) | OR51E2GLRA1SLC6A9LMNAALDH1A1 | |
| Alanine SCHEMBL25189736 | 0.82 | GLRA1 (0.59) | OR51E2GLRA1SLC6A9GABRR1GABRP | |
| Alanine SCHEMBL2083490 | 0.82 | GLRA1 (0.59) | OR51E2GLRA1SLC6A9GABRR1GABRP | |
| Alanine SCHEMBL8383645 | 0.82 | GLRA1 (0.59) | OR51E2GLRA1SLC6A9GABRR1GABRP | |
| Alanine SCHEMBL819876 | 0.82 | GLRA1 (0.59) | OR51E2GLRA1SLC6A9GABRR1GABRP | |
| Glycerin SCHEMBL450871 | 0.82 | OR51E2 (0.59) | OR51E2GLRA1SLC6A9LMNAALDH1A1 |
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-2836832-A1 | EARLY TRIMESTER SCREENING FOR EARLY- AND LATE-ONSET PREECLAMPSIA | Wayne State University (US) | 2015-02-18 | — | — | EP | disclosed |
| WO-2013155458-A1 | EARLY TRIMESTER SCREENING FOR EARLY- AND LATE-ONSET PREECLAMPSIA | WAYNE STATE UNIVERSITY (US) | 2013-10-17 | — | — | WO | disclosed |