Known targets — ChEMBL curated mechanism
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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.43 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.42 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | GABRP | O00591 | 2/20 | 0.37 |
| ▸ | GABRD | O14764 | 2/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.37 |
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 SCHEMBL15323596 | 1.00 | TDP1 (0.53) | TDP1OR51E2TP53USP2SLCO1B1 | |
| Alanine SCHEMBL15658201 | 0.89 | SLC7A5 (0.50) | TP53SLC7A5SLC1A1SLC1A3SLC1A2 | |
| Propylene Glycol SCHEMBL29212884 | 0.86 | TDP1 (0.62) | TDP1OR51E2TP53 | |
| Alanine SCHEMBL3438701 | 0.84 | ALDH1A1 (0.47) | TDP1OR51E2TP53USP2SLCO1B1 | |
| Alanine SCHEMBL2781385 | 0.84 | ALDH1A1 (0.47) | TDP1OR51E2TP53USP2SLCO1B1 | |
| Propylene Glycol SCHEMBL8730890 | 0.83 | TDP1 (0.59) | TDP1OR51E2TP53USP2SLCO1B1 | |
| Alanine SCHEMBL15657545 | 0.83 | SLC7A5 (0.46) | TP53SLC7A5SLC1A1SLC1A3SLC1A2 | |
| Propylene Glycol SCHEMBL28327418 | 0.83 | TDP1 (0.59) | TDP1OR51E2TP53 | |
| Aspartic Acid SCHEMBL29130887 | 0.83 | SLC7A5 (0.48) | TDP1SLC7A5SLC1A1SLC1A3SLC1A2 | |
| Serine SCHEMBL28537691 | 0.82 | SLC7A5 (0.52) | TDP1OR51E2TP53USP2SLCO1B1 |
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 |