Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKAB2 | O43741 | 1/20 | 0.42 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.42 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.42 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.42 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.42 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.42 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.42 |
| ▸ | P2RX4 | Q99571 | 5/20 | 0.41 |
| ▸ | PKM | P14618 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 6/20 | 0.39 |
| ▸ | CA1 | P00915 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11553287 | 0.89 | P2RX4 (0.43) | P2RX4CA2CA1CA9CA12 | |
| SCHEMBL11553517 | 0.88 | P2RX4 (0.53) | P2RX4KDM4E | |
| SCHEMBL11555410 | 0.86 | P2RX4 (0.49) | P2RX4CA2CA1CA9CA12 | |
| SCHEMBL11552594 | 0.81 | P2RX4 (0.50) | P2RX4LMNAALDH1A1 | |
| SCHEMBL11552599 | 0.77 | P2RX4 (0.40) | P2RX4CA2CA1CA9CA12 | |
| SCHEMBL11710380 | 0.74 | PKM (0.50) | PKMCA2CA1KDM4ECA9 | |
| SCHEMBL18700925 | 0.73 | PRKAB2 (0.48) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL18700972 | 0.73 | PRKAB2 (0.48) | PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3 | |
| SCHEMBL21800161 | 0.73 | CA2 (0.49) | PKMCA2CA1CA9CA12 | |
| SCHEMBL11554555 | 0.72 | CA1 (0.61) | CA2CA1CA9CA12LMNA |
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-4161533-A | DIURETICS, SALURETICS | HOECHST AKTIENGESELLSCHAFT (DE) | 1979-07-17 | — | — | US | disclosed |