Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | P4HA1 | P13674 | 2/20 | 0.39 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.39 |
| ▸ | OGA | O60502 | 1/20 | 0.37 |
| ▸ | RBP4 | P02753 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HCAR3 | P49019 | 6/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.33 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22345180 | 0.84 | POLB (0.50) | POLBP4HA1P4HTMOGARBP4 | |
| SCHEMBL22345184 | 0.78 | POLB (0.44) | POLBOGAKDM4EALDH1A1ALOX15 | |
| SCHEMBL16824215 | 0.75 | POLB (0.59) | POLBP4HA1P4HTMOGARBP4 | |
| SCHEMBL34472207 | 0.73 | POLB (0.53) | POLBOGARBP4HDAC3HDAC1 | |
| SCHEMBL184998 | 0.73 | POLB (0.71) | POLBP4HA1P4HTMOGARBP4 | |
| SCHEMBL28590337 | 0.72 | POLB (0.55) | POLBOGARBP4KDM4EALDH1A1 | |
| SCHEMBL186135 | 0.72 | POLB (0.69) | POLBOGARBP4KDM4EALDH1A1 | |
| SCHEMBL8208254 | 0.71 | POLB (0.58) | POLBOGAKDM4EHDAC3HDAC1 | |
| SCHEMBL16827289 | 0.70 | POLB (0.61) | POLBOGARBP4KDM4EALDH1A1 | |
| SCHEMBL23157959 | 0.69 | POLB (0.65) | POLBP4HA1P4HTMOGARBP4 |
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 |