Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PDE8B | O95263 | 7/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21964573 | 1.00 | TSHR (0.44) | TSHRALDH1A1POLBPDE8BCASP1 | |
| SCHEMBL21960381 | 1.00 | TSHR (0.44) | TSHRALDH1A1POLBPDE8BCASP1 | |
| SCHEMBL21960368 | 0.82 | PIK3CA (0.46) | TSHRALDH1A1POLBPDE8BCASP1 | |
| SCHEMBL21961386 | 0.81 | MAP3K14 (0.36) | KDM4E | |
| SCHEMBL21960898 | 0.81 | MAP3K14 (0.36) | KDM4E | |
| SCHEMBL2817824 | 0.79 | CNR2 (0.44) | TSHRALDH1A1PDE8BCASP1CASP7 | |
| SCHEMBL283424 | 0.79 | CNR2 (0.44) | TSHRALDH1A1PDE8BCASP1CASP7 | |
| SCHEMBL283425 | 0.79 | CNR2 (0.44) | TSHRALDH1A1PDE8BCASP1CASP7 | |
| SCHEMBL21960874 | 0.78 | PDE8B (0.49) | PDE8BPIK3CAEPHX2 | |
| Hydrochloric Acid SCHEMBL2677549 | 0.78 | CNR2 (0.44) | TSHRALDH1A1PDE8BCASP1CASP7 |
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-3478675-B1 | HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2020-04-22 | — | — | EP | disclosed |