Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28736067 | 0.87 | KDM4E (0.44) | NPC1RAB9ASMN1; SMN2ACHEALDH1A1 | |
| SCHEMBL578148 | 0.76 | ACHE (0.50) | NPC1RAB9ASMN1; SMN2ACHEALDH1A1 | |
| SCHEMBL30023013 | 0.76 | ACHE (0.50) | NPC1RAB9ASMN1; SMN2ACHEALDH1A1 | |
| SCHEMBL28899595 | 0.74 | ACHE (0.49) | ACHEKDM4EMAPTCYP19A1CNR2 | |
| SCHEMBL947365 | 0.73 | ALDH1A1 (0.55) | NPC1RAB9ASMN1; SMN2ACHEALDH1A1 | |
| SCHEMBL29683518 | 0.73 | ALDH1A1 (0.55) | NPC1RAB9ASMN1; SMN2ACHEALDH1A1 | |
| SCHEMBL31522711 | 0.73 | ACHE (0.47) | NPC1RAB9ASMN1; SMN2ACHEALDH1A1 | |
| SCHEMBL8021509 | 0.73 | ACHE (0.54) | NPC1RAB9ASMN1; SMN2ACHEALDH1A1 | |
| SCHEMBL28390052 | 0.72 | ALDH1A1 (0.39) | ALDH1A1KDM4EMAPTHSD17B10CYP19A1 | |
| SCHEMBL28736065 | 0.72 | ACHE (0.46) | ACHEALDH1A1KDM4EMAPTHSD17B10 |
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-113004109-A | Asymmetric synthesis method of chiral alpha-hydroxy-beta-ketonic acid ester compound | 浙江工业大学 | 2021-06-22 | — | — | CN | disclosed |