Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | TLR4 | O00206 | 1/20 | 0.31 |
| ▸ | TLR2 | O60603 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22238689 | 0.85 | CA12 (0.34) | TDP1CA2CA12CA1CA4 | |
| SCHEMBL22238736 | 0.76 | TYMS (0.51) | TYMSCYP1A2CYP2C19HTTHIF1A | |
| SCHEMBL30364675 | 0.69 | CYP1A2 (0.43) | RXRARXRBCYP1A2CYP2C19HTT | |
| Trimethylammonium SCHEMBL11814440 | 0.64 | CYP19A1 (0.45) | CA2CYP19A1CA12CA1CA4 | |
| SCHEMBL30096384 | 0.63 | CA2 (0.46) | CYP1A2CYP2C19HTTHIF1ATDP1 | |
| SCHEMBL12716467 | 0.62 | TYMS (0.49) | TYMSCYP1A2CYP2C19HTTHIF1A | |
| SCHEMBL15928851 | 0.61 | CA12 (0.40) | CA2CA12CA1CA4CA9 | |
| SCHEMBL5155604 | 0.61 | CA12 (0.49) | CA2CA12CA1CA4CA9 | |
| SCHEMBL5148856 | 0.61 | AGXT (0.48) | CA2CYP19A1CA12CA1CA4 | |
| SCHEMBL22664722 | 0.60 | CA12 (0.34) | TDP1CA2CA12CA1CA4 |
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-3049386-B1 | COMPOUNDS USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES | UNIV KOELN (DE) | 2020-07-22 | — | — | EP | disclosed |