Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 4/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29541396 | 0.83 | GRM5 (0.46) | GRM5 | |
| SCHEMBL30711519 | 0.79 | CASP3 (0.43) | GABRA1GABRA5GABRA2GABRA3GABRG2 | |
| SCHEMBL29141181 | 0.79 | CASP3 (0.43) | GABRA1GABRA5GABRA2GABRA3GABRG2 | |
| SCHEMBL16153831 | 0.76 | GRM5 (0.38) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL29203828 | 0.76 | MAOA (0.44) | TYMSCA12CA1CA2CA9 | |
| SCHEMBL3831665 | 0.76 | CA12 (0.40) | TYMSGABRA1GABRA5GABRA2GABRB2 | |
| SCHEMBL10190649 | 0.75 | GRM5 (0.60) | GRM5 | |
| SCHEMBL6979260 | 0.72 | GRM5 (0.62) | TYMSGRM5 | |
| SCHEMBL3621220 | 0.71 | TYMS (0.39) | TYMSGABRA1GABRA5GABRA2GABRB2 | |
| SCHEMBL571181 | 0.71 | RAB9A (0.38) | TYMSGRM5CA12CA1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018114965-A1 | CLPX INHIBITORY COMPOUNDS FOR THE TREATMENT OF MULTI RESISTANT STAPHYLOCOCCUS AUREUS VIRULENCE AND FOR THE TREATMENT OF LEUKEMIA | Technische Universität München (DE) | 2018-06-28 | — | — | WO | disclosed |
| WO-2018114965-A1 | CLPX INHIBITORY COMPOUNDS FOR THE TREATMENT OF MULTI RESISTANT STAPHYLOCOCCUS AUREUS VIRULENCE AND FOR THE TREATMENT OF LEUKEMIA | Technische Universität München (DE) | 2018-06-28 | — | — | WO | disclosed |