Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PRKCA | P17252 | 1/20 | 0.35 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL19060186 | 1.00 | CA2 (0.38) | CA2MAPK1ALDH1A1PRKCAPRKCD | |
| SCHEMBL21836286 | 0.88 | USP2 (0.47) | CA2MAPK1ALDH1A1PRKCAPRKCD | |
| SCHEMBL11499903 | 0.88 | GPR84 (0.41) | USP2GPR84HTTFFAR1MAPT | |
| SCHEMBL15049102 | 0.83 | TDP1 (0.42) | CA2MAPK1ALDH1A1PRKCAPRKCD | |
| SCHEMBL116892 | 0.82 | USP2 (0.50) | ALDH1A1CYP3A4USP2GPR84HTT | |
| SCHEMBL13500024 | 0.82 | TSHR (0.35) | TSHR | |
| SCHEMBL1841788 | 0.81 | USP2 (0.53) | CYP3A4USP2GPR84HTTFFAR1 | |
| SCHEMBL11037256 | 0.81 | USP2 (0.53) | CYP3A4USP2GPR84HTTFFAR1 | |
| SCHEMBL21836271 | 0.81 | USP2 (0.53) | CYP3A4USP2GPR84HTTFFAR1 | |
| SCHEMBL9447824 | 0.81 | GPR84 (0.36) | USP2GPR84HTTFFAR1MAPT |
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-2010087515-A1 | FUSED RING COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-08-05 | — | — | WO | disclosed |