Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ITGA4 | P13612 | 3/20 | 0.43 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.43 |
| ▸ | ACE | P12821 | 1/20 | 0.42 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28774137 | 1.00 | CA2 (0.52) | CA2MEN1KMT2ALMNANPC1 | |
| SCHEMBL28944005 | 0.87 | CA2 (0.53) | CA2MEN1KMT2ALMNANPC1 | |
| SCHEMBL28944004 | 0.87 | CA2 (0.53) | CA2MEN1KMT2ALMNANPC1 | |
| SCHEMBL8932106 | 0.86 | CA2 (0.52) | CA2MEN1KMT2ALMNANPC1 | |
| SCHEMBL28774121 | 0.85 | ITGA4 (0.47) | CA2MEN1KMT2ALMNARAB9A | |
| SCHEMBL28774123 | 0.85 | ITGA4 (0.47) | CA2MEN1KMT2ALMNARAB9A | |
| SCHEMBL1096514 | 0.84 | CA2 (0.55) | CA2MEN1KMT2ALMNANPC1 | |
| SCHEMBL6309878 | 0.83 | ALDH1A1 (0.50) | CA2MEN1KMT2ALMNANPC1 | |
| SCHEMBL561160 | 0.81 | CA2 (0.57) | CA2MEN1KMT2ALMNANPC1 | |
| SCHEMBL561161 | 0.81 | CA2 (0.57) | CA2MEN1KMT2ALMNANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114560781-A | Preparation method of N, N-bis (2-chloroethyl) -4-nitrophenylalanine methyl ester | 无锡捷化医药科技有限公司 | 2022-05-31 | — | — | CN | disclosed |