Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
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.
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 SCHEMBL5200274 | 1.00 | — | — | |
| Alanine SCHEMBL5943276 | 0.93 | SLC7A5 (0.38) | — | |
| Alanine SCHEMBL1436676 | 0.93 | — | — | |
| Alanine SCHEMBL10814860 | 0.93 | SLC7A5 (0.38) | — | |
| Alanine SCHEMBL4669777 | 0.93 | — | — | |
| Alanine SCHEMBL19326825 | 0.93 | SLC7A5 (0.38) | — | |
| Alanine SCHEMBL497114 | 0.93 | SLC7A5 (0.38) | — | |
| Alanine SCHEMBL7616260 | 0.93 | SLC7A5 (0.38) | — | |
| Alanine SCHEMBL7532124 | 0.93 | CA1 (0.44) | — | |
| Alanine SCHEMBL7614895 | 0.93 | SLC7A5 (0.38) | — |
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-114570178-A | Carbon dioxide absorbent and preparation method and application thereof | 上海交通大学 | 2022-06-03 | — | — | CN | disclosed |
| CN-111185071-B | Carbon dioxide absorbent and preparation method and application thereof | 国家能源投资集团有限责任公司 | 2022-03-11 | — | — | CN | disclosed |