Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.65 |
| ▸ | CA1 | P00915 | 3/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | CA7 | P43166 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.43 |
| ▸ | WDR77 | Q9BQA1 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | AGER | Q15109 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL6166661 | 0.92 | CA1 (0.60) | BACE1CA1CA2CA7CA9 | |
| SCHEMBL9770421 | 0.85 | HTT (0.52) | BACE1CA1CA2CA7CA9 | |
| SCHEMBL9480490 | 0.80 | BACE1 (0.80) | BACE1MAPK1TSHRCYP1A2CYP2C19 | |
| SCHEMBL397022 | 0.78 | CA1 (0.78) | CA1CA2CA7CA9MAPK1 | |
| SCHEMBL1549295 | 0.76 | BACE1 (0.51) | BACE1CA1CA2CA7CA9 | |
| SCHEMBL9770321 | 0.75 | BACE1 (0.76) | BACE1MAPK1LMNAPTGS1SLC6A2 | |
| SCHEMBL9770465 | 0.75 | BACE1 (0.76) | BACE1CYP1A2CYP2C19CYP2D6LMNA | |
| SCHEMBL9770411 | 0.75 | BACE1 (0.60) | BACE1CA1CA2CA7CA9 | |
| SCHEMBL7153591 | 0.75 | CA1 (0.76) | CA1CA2CA7CA9MAPK1 | |
| SCHEMBL9770570 | 0.74 | BACE1 (0.76) | BACE1POLBLMNAPTGS1SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5071822-A | Electron donating colorless dye, electron accepting derivative of 1-(4-hydroxyphenylthio)-3-oxy-2-propanol; heat sensitive, image stability | KAO CORPORATION (JP) | 1991-12-10 | — | — | US | disclosed |