Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 5/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | HPGD | P15428 | 5/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | VNN1 | O95497 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22360327 | 0.82 | ADRA1A (0.61) | ADRA1AHSD17B10ALDH1A1HPGDCA12 | |
| SCHEMBL16827304 | 0.79 | ADRA1A (1.00) | ADRA1A | |
| SCHEMBL22345186 | 0.77 | ADRA1A (0.55) | ADRA1AHSD17B10ALDH1A1HPGDCYP2D6 | |
| SCHEMBL16824482 | 0.77 | ADRA1A (0.80) | ADRA1A | |
| SCHEMBL22345187 | 0.77 | ADRA1A (0.53) | ADRA1AHSD17B10ALDH1A1HPGDCYP2D6 | |
| SCHEMBL16824215 | 0.76 | POLB (0.59) | ADRA1AHSD17B10ALDH1A1HPGDCYP2D6 | |
| SCHEMBL22360319 | 0.75 | ADRA1A (0.51) | ADRA1AALDH1A1TSHR | |
| SCHEMBL22360365 | 0.75 | ADRA1A (0.55) | ADRA1AHSD17B10ALDH1A1HPGDCYP2D6 | |
| SCHEMBL22360326 | 0.74 | ADRA1A (0.61) | ADRA1ADGAT2 | |
| SCHEMBL16855449 | 0.74 | ADRA1A (0.64) | ADRA1AHSD17B10ALDH1A1HPGDCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020165031-A1 | SUBSTITUTED ISOQUINOLINE-PIPERIDINYLMETHANONE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2020-08-20 | — | — | WO | disclosed |
| WO-2020165031-A1 | SUBSTITUTED ISOQUINOLINE-PIPERIDINYLMETHANONE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2020-08-20 | — | — | WO | disclosed |