Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL1768928 | 0.86 | NPC1 (0.47) | NPC1RAB9ACA12CA9LMNA | |
| SCHEMBL28156564 | 0.82 | NPC1 (0.47) | NPC1RAB9ACA12CA9SMN1; SMN2 | |
| SCHEMBL10660626 | 0.82 | TSHR (0.54) | NPC1RAB9ACA12CA9LMNA | |
| SCHEMBL2793164 | 0.76 | ALDH1A1 (0.46) | NPC1RAB9ALMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL12604504 | 0.76 | TSHR (0.50) | LMNAALDH1A1TSHRMAPK1 | |
| SCHEMBL27363608 | 0.76 | TSHR (0.43) | NPC1LMNAALDH1A1KMT2AMEN1 | |
| SCHEMBL212272 | 0.76 | AKR1B1 (0.52) | NPC1RAB9ACA12CA9LMNA | |
| SCHEMBL12198408 | 0.75 | NPC1 (0.47) | NPC1RAB9ACA12CA9LMNA | |
| SCHEMBL27264989 | 0.75 | TDP1 (0.41) | LMNAALDH1A1TSHRMAPK1 | |
| SCHEMBL6560032 | 0.75 | NPC1 (0.50) | NPC1RAB9ACA12CA9LMNA |
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-108727269-A | A kind of preparation method of N (τ)-methyl-L-histidine derivative and its application in synthesizing anserine | 南京纽邦生物科技有限公司 | 2018-11-02 | — | — | CN | disclosed |