Known targets — ChEMBL curated mechanism
CHRM1DRD2DRD3DRD4HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR2APDE3ASIGMAR1
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 | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.48 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.42 |
| ▸ | GSR | P00390 | 1/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.38 |
| ▸ | CTH | P32929 | 1/20 | 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 |
| ▸ | GABRA4 | P48169 | 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 | |
|---|---|---|---|---|
| Lactic Acid SCHEMBL28814674 | 1.00 | TP53 (0.58) | TP53GABRR1SLC7A5GSRSLC1A3 | |
| Lactic Acid SCHEMBL31326881 | 0.92 | TP53 (0.69) | TP53GABRR1SLC7A5GSRSLC1A3 | |
| Lactic Acid SCHEMBL27979213 | 0.92 | TP53 (0.69) | TP53GABRR1SLC7A5GSRSLC1A3 | |
| Alanine SCHEMBL20740651 | 0.92 | GABRR1 (0.55) | TP53GABRR1SLC7A5GSRSLC1A3 | |
| Lactic Acid SCHEMBL10934337 | 0.89 | TP53 (0.65) | TP53GABRR1SLC7A5GSRSLC1A3 | |
| Alanine SCHEMBL27521453 | 0.89 | GABRR1 (0.52) | TP53GABRR1SLC7A5GSRSLC1A3 | |
| Alanine SCHEMBL12273574 | 0.89 | TP53 (0.73) | TP53GABRR1SLC7A5SLC1A3SLC1A2 | |
| Lactic Acid SCHEMBL12273576 | 0.89 | TP53 (0.73) | TP53GABRR1SLC7A5SLC1A3SLC1A2 | |
| Lactic Acid SCHEMBL28848648 | 0.86 | TP53 (0.61) | TP53GABRR1SLC7A5GSR | |
| Lactic Acid SCHEMBL22346344 | 0.86 | TP53 (0.61) | TP53GABRR1SLC7A5GSRLMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-104174275-B | Compound ionic liquid and preparation method and the application as trapping agent thereof | NANJING UNIVERSITY OF INFORMATION SCIENCE AND TECHNOLOGY (CN) | 2016-02-03 | — | — | CN | claimed |
| CN-104174275-A | Compound type ionic liquid and preparation method and application of compound type ionic liquid as trapping agent | UNIV NANJING INF SCI & TECH | 2014-12-03 | — | — | CN | claimed |
| CN-104174275-B | Compound ionic liquid and preparation method and the application as trapping agent thereof | NANJING UNIVERSITY OF INFORMATION SCIENCE AND TECHNOLOGY (CN) | 2016-02-03 | — | — | CN | disclosed |
| CN-104174275-A | Compound type ionic liquid and preparation method and application of compound type ionic liquid as trapping agent | UNIV NANJING INF SCI & TECH | 2014-12-03 | — | — | CN | disclosed |