Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | F2R | P25116 | 1/20 | 0.32 |
| ▸ | G6PD | P11413 | 1/20 | 0.31 |
| ▸ | NAAA | Q02083 | 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 | |
|---|---|---|---|---|
| SCHEMBL12437109 | 1.00 | MAPT (0.41) | MAPTTSHRATMBTKALDH1A1 | |
| SCHEMBL8916837 | 0.85 | MAPT (0.41) | MAPTTSHRATMBTKALDH1A1 | |
| SCHEMBL14853089 | 0.85 | MAPT (0.41) | MAPTTSHRATMBTKALDH1A1 | |
| SCHEMBL8917098 | 0.85 | MAPT (0.41) | MAPTTSHRATMBTKALDH1A1 | |
| SCHEMBL12436835 | 0.83 | EPHX2 (0.42) | MAPTTSHRBTKALDH1A1EPHX1 | |
| SCHEMBL890157 | 0.83 | EPHX2 (0.42) | MAPTTSHRBTKALDH1A1EPHX1 | |
| SCHEMBL890177 | 0.83 | EPHX2 (0.42) | MAPTTSHRBTKALDH1A1EPHX1 | |
| SCHEMBL23772481 | 0.82 | BTK (0.47) | MAPTTSHRATMBTKALDH1A1 | |
| SCHEMBL23917856 | 0.82 | BTK (0.47) | MAPTTSHRATMBTKALDH1A1 | |
| SCHEMBL12513663 | 0.79 | BTK (0.58) | BTKEPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE49686-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-10-10 | — | — | US | disclosed |
| US-RE48334-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2020-12-01 | — | — | US | disclosed |