Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.40 |
| ▸ | CA2 | P00918 | 5/20 | 0.40 |
| ▸ | CA12 | O43570 | 4/20 | 0.40 |
| ▸ | CA9 | Q16790 | 4/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SUCNR1 | Q9BXA5 | 5/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | ITK | Q08881 | 2/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL21153286 | 0.86 | CA1 (0.43) | CA1CA2NPSR1MEN1KMT2A | |
| SCHEMBL19983283 | 0.83 | SUCNR1 (0.43) | CA1CA2NPSR1MEN1KMT2A | |
| SCHEMBL19983291 | 0.80 | TDP1 (0.41) | CA1CA2NPSR1MEN1KMT2A | |
| SCHEMBL19983070 | 0.80 | SUCNR1 (0.43) | CA1CA2NPSR1MEN1KMT2A | |
| SCHEMBL21153178 | 0.78 | CYP3A4 (0.49) | CA1CA2NPSR1MEN1KMT2A | |
| SCHEMBL23023429 | 0.78 | TDP1 (0.43) | CA1CA2NPSR1MEN1KMT2A | |
| SCHEMBL19983329 | 0.78 | TDP1 (0.42) | CA1CA2NPSR1MEN1KMT2A | |
| SCHEMBL19983005 | 0.76 | TDP1 (0.48) | NPSR1MEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL23023497 | 0.75 | CA1 (0.43) | CA1CA2NPSR1MEN1KMT2A | |
| SCHEMBL21153435 | 0.75 | TDP1 (0.41) | CA1CA2NPSR1MEN1KMT2A |
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-2018053353-A1 | KETONE INHIBITORS OF LYSINE GINGIPAIN | Cortexyme, Inc. (US) | 2018-03-22 | — | — | WO | disclosed |