Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.59 |
| ▸ | CA9 | Q16790 | 6/20 | 0.59 |
| ▸ | CA1 | P00915 | 5/20 | 0.59 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 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 | |
|---|---|---|---|---|
| SCHEMBL168170 | 0.81 | CA2 (0.64) | CA2CA9CA1PPARGACHE | |
| SCHEMBL9846709 | 0.79 | CA2 (0.61) | CA2CA9CA1PPARGACHE | |
| SCHEMBL9400220 | 0.79 | CA2 (0.54) | CA2CA9CA1PPARGTSHR | |
| Hydrogen Sulfide SCHEMBL27764031 | 0.79 | CA2 (0.61) | CA2CA9CA1PPARGACHE | |
| Hydrochloric Acid SCHEMBL11580385 | 0.79 | CA2 (0.61) | CA2CA9CA1PPARGACHE | |
| SCHEMBL936809 | 0.78 | CA2 (0.67) | CA2CA9CA1PPARGACHE | |
| SCHEMBL5700077 | 0.76 | CA2 (0.57) | CA2CA9CA1PPARGACHE | |
| SCHEMBL9451471 | 0.74 | CA2 (1.00) | CA2CA9CA1 | |
| SCHEMBL16140141 | 0.74 | CA2 (0.61) | CA2CA9CA1PPARGACHE | |
| SCHEMBL25074865 | 0.74 | CA2 (0.61) | CA2CA9CA1PPARGACHE |
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 |
|---|---|---|---|---|---|---|---|
| EP-3257510-B1 | LACTATE DEHYDROGENASE INHIBITOR AND ANTIEPILEPTIC DRUG CONTAINING SAME | NAT UNIV CORPORATION OKAYAMA UNIV (JP) | 2021-10-20 | — | — | EP | disclosed |