Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.49 |
| ▸ | HPGD | P15428 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | MGLL | Q99685 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.41 |
| ▸ | PHGDH | O43175 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.41 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5299279 | 0.89 | SMN1; SMN2 (0.56) | SMN1; SMN2NPC1RAB9AALDH1A1HPGD | |
| SCHEMBL27521010 | 0.87 | SMN1; SMN2 (0.54) | SMN1; SMN2NPC1RAB9AALDH1A1HPGD | |
| SCHEMBL31364230 | 0.80 | ALDH1A1 (0.45) | SMN1; SMN2NPC1RAB9AALDH1A1HPGD | |
| Biphenyl SCHEMBL27941670 | 0.77 | SMN1; SMN2 (0.55) | SMN1; SMN2NPC1RAB9AALDH1A1HPGD | |
| SCHEMBL19468041 | 0.77 | SMN1; SMN2 (0.51) | SMN1; SMN2NPC1RAB9AALDH1A1HPGD | |
| SCHEMBL11820071 | 0.75 | ALDH1A1 (0.54) | SMN1; SMN2NPC1RAB9AALDH1A1HPGD | |
| SCHEMBL711232 | 0.75 | ALDH1A1 (0.39) | SMN1; SMN2NPC1RAB9AALDH1A1HPGD | |
| SCHEMBL27649469 | 0.74 | PKM (0.55) | SMN1; SMN2NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL9872134 | 0.72 | ALDH1A1 (0.53) | SMN1; SMN2NPC1RAB9AALDH1A1HPGD | |
| SCHEMBL27961635 | 0.71 | ALDH1A1 (0.42) | SMN1; SMN2NPC1RAB9AALDH1A1HPGD |
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-116217459-A | Xanthate derivatization reagent and preparation method and application thereof | 西北大学 | 2023-06-06 | — | — | CN | disclosed |