Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | BLM | P54132 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | F10 | P00742 | 1/20 | 0.43 |
| ▸ | F12 | P00748 | 1/20 | 0.43 |
| ▸ | F7 | P08709 | 1/20 | 0.43 |
| ▸ | F3 | P13726 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9184821 | 1.00 | NFE2L2 (0.48) | NFE2L2CA12CA1CA2CA9 | |
| SCHEMBL600593 | 0.77 | CYP19A1 (0.48) | MAPTBLMTSHRRECQLTDP1 | |
| SCHEMBL14754430 | 0.76 | TSHR (0.48) | CA1CA2MAPTTSHRCYP3A4 | |
| SCHEMBL3471389 | 0.74 | BLM (0.48) | CA12CA1CA2CA9MAPT | |
| SCHEMBL2396375 | 0.74 | BLM (0.48) | CA12CA1CA2CA9MAPT | |
| SCHEMBL17253723 | 0.74 | BLM (0.48) | CA12CA1CA2CA9MAPT | |
| SCHEMBL3412775 | 0.73 | NFE2L2 (0.50) | NFE2L2CA12CA1CA2CA9 | |
| SCHEMBL97893 | 0.73 | NFE2L2 (0.50) | NFE2L2CA12CA1CA2CA9 | |
| SCHEMBL11751987 | 0.73 | NFE2L2 (0.50) | NFE2L2CA12CA1CA2CA9 | |
| SCHEMBL3887848 | 0.73 | NFE2L2 (0.50) | NFE2L2CA12CA1CA2CA9 |
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-2018030550-A1 | HETEROCYCLIC COMPOUNDS WITH AN ROR(GAMMA)T MODULATING ACTIVITY | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-02-15 | — | — | WO | disclosed |