Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA6 | P23280 | 1/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CDK1 | P06493 | 2/20 | 0.47 |
| ▸ | CDK2 | P24941 | 2/20 | 0.47 |
| ▸ | CDK4 | P11802 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL25845301 | 0.94 | CA1 (0.61) | CA1CA2CA6OPRK1CA7 | |
| SCHEMBL3542897 | 0.81 | CA1 (0.58) | CA1CA2CA6OPRK1CA7 | |
| SCHEMBL10053513 | 0.81 | CA1 (0.54) | CA1CA2CA6OPRK1CA7 | |
| SCHEMBL4599264 | 0.81 | CA1 (0.54) | CA1CA2CA6OPRK1CA7 | |
| SCHEMBL979663 | 0.81 | CA1 (0.54) | CA1CA2CA6OPRK1CA7 | |
| SCHEMBL1937229 | 0.80 | POLB (0.61) | CA1CA2CA6OPRK1CA7 | |
| SCHEMBL12209941 | 0.80 | POLB (0.57) | CA1CA2CA6OPRK1CA7 | |
| SCHEMBL2187675 | 0.79 | POLB (0.60) | CA1CA2CA6OPRK1CA7 | |
| SCHEMBL470372 | 0.79 | POLB (0.49) | CA1CA2CA6OPRK1CA7 | |
| SCHEMBL1168065 | 0.77 | CA1 (0.50) | CA1CA2CA6OPRK1CA7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023122212-A2 | SUBSTITUTED PHENYL ETHYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS | SOUTHERN RESEARCH INSTITUTE (US) | 2023-06-29 | — | — | WO | disclosed |