Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.65 |
| ▸ | RAB9A | P51151 | 6/20 | 0.65 |
| ▸ | MAPT | P10636 | 4/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | LMNA | P02545 | 3/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.65 |
| ▸ | KLK1 | P06870 | 2/20 | 0.65 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.61 |
| ▸ | GAA | P10253 | 5/20 | 0.61 |
| ▸ | PKM | P14618 | 2/20 | 0.60 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | THRB | P10828 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.56 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL30619961 | 1.00 | NPC1 (0.65) | NPC1RAB9AMAPTALDH1A1LMNA | |
| SCHEMBL10371770 | 0.87 | KLK1 (0.68) | NPC1RAB9AMAPTALDH1A1LMNA | |
| SCHEMBL4454948 | 0.83 | KLK1 (0.63) | NPC1RAB9AMAPTALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL10508401 | 0.82 | HSD17B10 (0.61) | NPC1RAB9AMAPTALDH1A1LMNA | |
| SCHEMBL1269573 | 0.81 | KLK1 (0.61) | NPC1RAB9AMAPTALDH1A1LMNA | |
| SCHEMBL5562229 | 0.79 | KLK1 (0.77) | NPC1RAB9AMAPTALDH1A1LMNA | |
| SCHEMBL1268891 | 0.79 | KLK1 (1.00) | NPC1RAB9AMAPTALDH1A1LMNA | |
| SCHEMBL19476147 | 0.79 | PKM (0.60) | NPC1RAB9AMAPTALDH1A1LMNA | |
| SCHEMBL6533101 | 0.78 | NPC1 (0.56) | NPC1RAB9AMAPTALDH1A1HSD17B10 | |
| SCHEMBL22356617 | 0.78 | GAA (0.77) | NPC1RAB9AALDH1A1MAPK1SMN1; 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-112321526-A | Method for synthesizing heteroaromatic methylamine compound through redox-decarboxylation coupling reaction | 西北师范大学 | 2021-02-05 | — | — | CN | disclosed |