Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.54 |
| ▸ | CA1 | P00915 | 5/20 | 0.54 |
| ▸ | CA9 | Q16790 | 5/20 | 0.54 |
| ▸ | CA5A | P35218 | 2/20 | 0.54 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 4/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ACLY | P53396 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8608217 | 0.91 | CA2 (0.50) | CA2CA1CA9CA5AGABRA1 | |
| SCHEMBL8611119 | 0.89 | CA2 (0.48) | CA2CA1CA9CA5AGABRA1 | |
| SCHEMBL8609605 | 0.89 | CA2 (0.46) | CA2CA1CA9CA5AALDH1A1 | |
| SCHEMBL8608965 | 0.88 | PTGS2 (0.47) | CA2CA1CA9CA5AGABRA1 | |
| SCHEMBL8611614 | 0.84 | CA2 (0.50) | CA2CA1CA9CA5AGABRA1 | |
| SCHEMBL8610875 | 0.83 | CA2 (0.55) | CA2CA1CA9CA5AGABRA1 | |
| SCHEMBL8608215 | 0.81 | CA2 (0.43) | CA2CA1CA9CA5AALDH1A1 | |
| SCHEMBL8611709 | 0.80 | PTGS2 (0.44) | CA2CA1CA9CA5AGABRA1 | |
| SCHEMBL8530037 | 0.80 | SLC9A1 (0.48) | — | |
| SCHEMBL12165945 | 0.80 | GABRA1 (0.47) | GABRA1GABRG2GABRB3GABRA3HPGD |
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-5807896-A | Arylbenzoylguanidines | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTING (DE) | 1998-09-15 | — | — | US | disclosed |