Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | FUCA1 | P04066 | 9/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.39 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.39 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.39 |
| ▸ | SAT1 | P21673 | 1/20 | 0.38 |
| ▸ | ADH1B | P00325 | 1/20 | 0.34 |
| ▸ | ADH1C | P00326 | 1/20 | 0.34 |
| ▸ | ADH1A | P07327 | 1/20 | 0.34 |
| ▸ | ADH7 | P40394 | 1/20 | 0.34 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4529337 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL4564521 | 0.86 | POLB (0.36) | FUCA1GNAI3GNAO1GNAI1SAT1 | |
| SCHEMBL25002586 | 0.80 | CA12 (0.44) | TSHRGNAI3GNAO1GNAI1SAT1 | |
| SCHEMBL20922032 | 0.78 | PAOX (0.41) | ALDH1A1SAT1SLC2A1 | |
| SCHEMBL4787321 | 0.77 | TSHR (0.59) | TSHRFUCA1ALDH1A1GNAI3GNAO1 | |
| SCHEMBL2026237 | 0.77 | SLC2A1 (0.51) | TSHRALDH1A1SAT1SLC2A1 | |
| SCHEMBL15579945 | 0.75 | — | — | |
| SCHEMBL20058265 | 0.75 | ALOX5 (0.49) | TSHRALDH1A1GNAI3GNAO1GNAI1 | |
| SCHEMBL5182105 | 0.74 | — | — | |
| SCHEMBL25447382 | 0.73 | TSHR (0.40) | TSHRFUCA1ALDH1A1SAT1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1817311-B1 | 2,3,4,6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME (US) | 2012-10-17 | — | — | EP | disclosed |
| EP-1740581-B1 | 2, 4, 6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME (US) | 2012-08-22 | — | — | EP | disclosed |