Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | TPSAB1 | Q15661 | 3/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.40 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.40 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.40 |
| ▸ | PLG | P00747 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL112716 | 0.81 | ACHE (0.41) | ALDH1A1CA1CA2MAPK1MEN1 | |
| SCHEMBL11722992 | 0.80 | MEN1 (0.55) | ALDH1A1TPSAB1PRSS1TPSD1TPSG1 | |
| SCHEMBL28959269 | 0.80 | ALDH1A1 (0.42) | ALDH1A1MAPTMAPK1MEN1KMT2A | |
| SCHEMBL669426 | 0.78 | ALDH1A1 (0.65) | ALDH1A1CA1CA2NPC1RAB9A | |
| SCHEMBL156297 | 0.77 | CA12 (0.62) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL4416640 | 0.77 | SMN1; SMN2 (0.61) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7026708 | 0.75 | CA12 (0.60) | ALDH1A1CA12CA1CA2CA9 | |
| Water SCHEMBL30097036 | 0.75 | CA12 (0.60) | ALDH1A1CA12CA1CA2CA9 | |
| Alcohol SCHEMBL28648245 | 0.75 | CA12 (0.55) | ALDH1A1CA12CA1CA2CA9 | |
| Hydrazine SCHEMBL28937719 | 0.74 | CA12 (0.58) | ALDH1A1CA12CA1CA2CA9 |
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-108778289-A | TRITERPENE SAPONIN ANALOGUES | 佐剂技术公司 | 2018-11-09 | — | — | CN | disclosed |