Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | CA4 | P22748 | 4/20 | 0.40 |
| ▸ | CA7 | P43166 | 4/20 | 0.40 |
| ▸ | CA9 | Q16790 | 4/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9770396 | 0.84 | BACE1 (0.59) | BACE1TSHRCA1CA2CA4 | |
| SCHEMBL9770410 | 0.84 | BACE1 (0.49) | BACE1TSHRCA1CA2CA4 | |
| SCHEMBL9770364 | 0.81 | BACE1 (0.51) | BACE1TSHRKCNH2NPC1RAB9A | |
| SCHEMBL9770369 | 0.80 | BACE1 (0.67) | BACE1TSHRHSP90AA1KCNH2KMT2A | |
| SCHEMBL9770485 | 0.79 | BACE1 (0.55) | BACE1TSHRCA1CA2CA4 | |
| SCHEMBL9770148 | 0.78 | BACE1 (0.58) | BACE1TSHRCA1CA2CA4 | |
| SCHEMBL9770415 | 0.78 | BACE1 (0.57) | BACE1CA1CA2CA4CA7 | |
| SCHEMBL9770384 | 0.78 | BACE1 (0.51) | BACE1TSHRCA2KCNH2KMT2A | |
| SCHEMBL9770570 | 0.77 | BACE1 (0.76) | BACE1KCNH2KMT2AMAPTNPC1 | |
| SCHEMBL5478851 | 0.77 | TSHR (0.58) | TSHRKMT2AMAPT |
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 |