Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 5/20 | 0.54 |
| ▸ | RAB9A | P51151 | 5/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | ITGAV | P06756 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28642074 | 0.90 | NPC1 (0.66) | NPC1RAB9ASMN1; SMN2SLC6A9ITGAV | |
| SCHEMBL28926540 | 0.90 | NPC1 (0.66) | NPC1RAB9ASMN1; SMN2SLC6A9ITGAV | |
| SCHEMBL28856988 | 0.89 | RAB9A (0.54) | LMNANPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL28652532 | 0.89 | RAB9A (0.54) | LMNANPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL28646007 | 0.89 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2CYP3A4ITGAV | |
| SCHEMBL28646005 | 0.89 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2CYP3A4ITGAV | |
| SCHEMBL28644570 | 0.86 | RAB9A (0.54) | NPC1RAB9ASMN1; SMN2SLC6A9ITGAV | |
| SCHEMBL28639667 | 0.86 | NPC1 (0.54) | LMNANPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL28644572 | 0.86 | RAB9A (0.54) | NPC1RAB9ASMN1; SMN2SLC6A9ITGAV | |
| SCHEMBL28644136 | 0.86 | SMN1; SMN2 (0.54) | LMNAPOLBNPC1RAB9ASMN1; SMN2 |
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-113354554-A | (2R,3S) -beta' -hydroxy-beta-amino acid ester derivative and preparation method thereof | 浙江工业大学 | 2021-09-07 | — | — | CN | disclosed |