Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | MMP2 | P08253 | 2/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28292240 | 0.78 | GAA (0.46) | GAAALDH1A1CA1CA2MMP2 | |
| SCHEMBL27339160 | 0.78 | GAA (0.50) | GAAALDH1A1CA1CA2MMP2 | |
| SCHEMBL6046403 | 0.76 | GAA (0.43) | GAAALDH1A1CA1CA2MMP2 | |
| SCHEMBL4925591 | 0.76 | GAA (0.43) | GAAALDH1A1CA1CA2MMP2 | |
| SCHEMBL4927264 | 0.76 | GAA (0.43) | GAAALDH1A1CA1CA2MMP2 | |
| SCHEMBL28043061 | 0.74 | MMP2 (0.52) | GAAALDH1A1CA1CA2MMP2 | |
| SCHEMBL28043062 | 0.74 | MMP2 (0.52) | GAAALDH1A1CA1CA2MMP2 | |
| SCHEMBL17772346 | 0.74 | GAA (0.42) | GAAALDH1A1CA1CA2MMP2 | |
| SCHEMBL27330923 | 0.74 | CA1 (0.52) | GAAALDH1A1CA1CA2MMP2 | |
| SCHEMBL3255193 | 0.73 | GAA (0.41) | GAAALDH1A1CA1CA2MMP2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5461176-A | Reacting alanine methyl ester with oxalyl chloride, treating with ammonia in methanol, reducing amides with diborane in tetrahydrofuran, neutralizing with sodium ethoxide to yield free amine | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-10-24 | — | — | US | disclosed |