Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CCR1 | P32246 | 4/20 | 0.48 |
| ▸ | CCR8 | P51685 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MMP2 | P08253 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CCR5 | P51681 | 2/20 | 0.48 |
| ▸ | GMNN | O75496 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | MMP8 | P22894 | 1/20 | 0.48 |
| ▸ | THPO | P40225 | 1/20 | 0.48 |
| ▸ | MTOR | P42345 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28304525 | 0.91 | CCR1 (0.55) | ALDH1A1CCR1CCR8KDM4ELMNA | |
| SCHEMBL8193 | 0.91 | CCR1 (0.55) | ALDH1A1CCR1CCR8KDM4ELMNA | |
| SCHEMBL29354893 | 0.91 | CCR1 (0.55) | ALDH1A1CCR1CCR8KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL3704753 | 0.88 | CCR1 (0.52) | ALDH1A1CCR1CCR8KDM4ELMNA | |
| Water SCHEMBL8327751 | 0.88 | CCR1 (0.52) | ALDH1A1CCR1CCR8KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL2284189 | 0.88 | CCR1 (0.52) | ALDH1A1CCR1CCR8KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL3710471 | 0.88 | CCR1 (0.52) | ALDH1A1CCR1CCR8KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL16337846 | 0.88 | CCR1 (0.52) | ALDH1A1CCR1CCR8KDM4ELMNA | |
| Bromide SCHEMBL31044093 | 0.88 | CCR1 (0.52) | ALDH1A1CCR1CCR8KDM4ELMNA | |
| Ammonia Solution, Strong SCHEMBL2732606 | 0.88 | CCR1 (0.52) | ALDH1A1CCR1CCR8KDM4ELMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-105481851-A | Hexahydrobenzonaphthyridine-type optically active compound and pharmaceutical use thereof | ZHAOLONG GONG | 2016-04-13 | — | — | CN | disclosed |