Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 10/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2866567 | 0.76 | HSD11B1 (0.48) | ALDH1A1CYP3A4CA1CA2CA9 | |
| SCHEMBL8242887 | 0.73 | SMN1; SMN2 (0.42) | ALDH1A1CYP3A4CA9HSD11B1NPFFR2 | |
| SCHEMBL3456184 | 0.73 | ALDH1A1 (0.42) | ALDH1A1CYP3A4CA1CA2CA9 | |
| SCHEMBL13615451 | 0.73 | SMN1; SMN2 (0.42) | ALDH1A1CYP3A4CA9HSD11B1NPFFR2 | |
| SCHEMBL23978104 | 0.73 | HSP90AA1 (0.30) | — | |
| SCHEMBL17191008 | 0.72 | TPMT (0.46) | ALDH1A1CYP3A4LMNATSHRKDM4E | |
| SCHEMBL13954749 | 0.71 | TSHR (0.52) | TSHRNPFFR2KDM4EPOLB | |
| SCHEMBL5981527 | 0.70 | HSD11B1 (0.52) | ALDH1A1CYP3A4CA1CA2CA9 | |
| SCHEMBL3002757 | 0.68 | HSD11B1 (0.50) | ALDH1A1CYP3A4CA1CA2CA9 | |
| SCHEMBL285092 | 0.68 | TTR (0.62) | ALDH1A1CYP3A4CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-7273882-B2 | Aminoacetamide acyl guanidines as β-secretase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-09-25 | — | — | US | disclosed |
| US-7273882-B2 | Aminoacetamide acyl guanidines as β-secretase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-09-25 | — | — | US | disclosed |