Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | MTOR | P42345 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | CES1 | P23141 | 3/20 | 0.47 |
| ▸ | TTR | P02766 | 2/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 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 | |
|---|---|---|---|---|
| SCHEMBL31053349 | 0.88 | HSP90AA1 (0.45) | TRPA1NPC1MTORRAB9ACES1 | |
| SCHEMBL30077375 | 0.80 | TTR (0.69) | TRPA1NPC1MTORRAB9ACES1 | |
| SCHEMBL13039623 | 0.80 | TTR (0.69) | TRPA1NPC1MTORRAB9ACES1 | |
| SCHEMBL31053339 | 0.78 | CES1 (0.49) | TRPA1NPC1MTORRAB9ACES1 | |
| SCHEMBL31053321 | 0.74 | DRD2 (0.42) | TRPA1NPC1MTORRAB9ACES1 | |
| SCHEMBL825207 | 0.73 | CYP2D6 (0.53) | CES1ALDH1A1GSK3BCYP2D6TSHR | |
| SCHEMBL10700973 | 0.71 | GSK3B (0.51) | KMT2AGSK3BCYP2D6TSHR | |
| SCHEMBL16127516 | 0.69 | TTR (0.75) | TRPA1NPC1MTORRAB9ACES1 | |
| SCHEMBL17886240 | 0.68 | TTR (0.51) | TRPA1NPC1MTORRAB9ACES1 | |
| SCHEMBL10511771 | 0.68 | RAB9A (0.47) | RAB9AMAPTALDH1A1MAPK1 |
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-118459389-A | Methoisoindigo derivative and application thereof in helicobacter pylori resistant medicines | 中南大学 | 2024-08-09 | — | — | CN | disclosed |