Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | CISD1 | Q9NZ45 | 6/20 | 0.40 |
| ▸ | GALK1 | P51570 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ACLY | P53396 | 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 | |
|---|---|---|---|---|
| SCHEMBL8583699 | 0.95 | TSHR (0.42) | ALDH1A1TSHRCA1CA2CA12 | |
| SCHEMBL8581020 | 0.87 | CNR2 (0.41) | ALDH1A1CNR2 | |
| SCHEMBL8583900 | 0.86 | CNR2 (0.40) | ALDH1A1CNR2MAPT | |
| SCHEMBL8580391 | 0.86 | CNR2 (0.40) | ALDH1A1CNR2 | |
| SCHEMBL8581804 | 0.86 | CNR2 (0.41) | ALDH1A1GALK1CNR2MAPT | |
| SCHEMBL8580983 | 0.85 | CNR2 (0.42) | ALDH1A1CNR2 | |
| SCHEMBL8581983 | 0.85 | PPARA (0.45) | ALDH1A1CNR2 | |
| SCHEMBL8581001 | 0.85 | CA12 (0.41) | ALDH1A1CA1CA2CA12CA9 | |
| SCHEMBL8581920 | 0.85 | CNR2 (0.41) | ALDH1A1CNR2MAPT | |
| SCHEMBL8585502 | 0.85 | CNR2 (0.41) | ALDH1A1CNR2MAPT |
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-5840761-A | Alkylbenzoylguanidine derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-11-24 | — | — | US | disclosed |