Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 3/20 | 0.45 |
| ▸ | THRA | P10827 | 1/20 | 0.45 |
| ▸ | NCEH1 | Q6PIU2 | 2/20 | 0.43 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 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 | |
|---|---|---|---|---|
| SCHEMBL23494279 | 0.85 | THRB (0.63) | THRBTHRANCEH1SLC2A1 | |
| SCHEMBL6933940 | 0.83 | SMN1; SMN2 (0.47) | NCEH1SLC2A1SMN1; SMN2NPC1MAPT | |
| SCHEMBL27947715 | 0.81 | TSHR (0.43) | THRBTHRANCEH1MAPTLMNA | |
| SCHEMBL29733218 | 0.81 | NCEH1 (0.42) | NCEH1SLC2A1SMN1; SMN2NPC1MAPT | |
| Hydrogen Sulfide SCHEMBL28837728 | 0.80 | TSHR (0.42) | THRBTHRANCEH1MAPTLMNA | |
| SCHEMBL27940178 | 0.80 | ERN1 (0.46) | MAPT | |
| SCHEMBL28017827 | 0.80 | TYMS (0.46) | THRBTHRANCEH1SMN1; SMN2NPC1 | |
| SCHEMBL29503708 | 0.79 | ALDH1A1 (0.44) | THRBTHRASMN1; SMN2MAPTLMNA | |
| SCHEMBL7800631 | 0.79 | ALDH1A1 (0.44) | THRBTHRASMN1; SMN2MAPTLMNA | |
| SCHEMBL819552 | 0.79 | MAPT (0.49) | NCEH1MAPTCYP1A1CYP1B1 |
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-112367983-A | 1,4 substituted isoquinoline inhibitors of KEAP1/NRF2 protein-protein interaction | 伊利诺伊大学评议会 | 2021-02-12 | — | — | CN | disclosed |