Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | G6PD | P11413 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CCR6 | P51684 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 7/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15781982 | 0.87 | ACHE (0.46) | ACHEMAPTCYP3A4HPGDMAPK1 | |
| SCHEMBL21515894 | 0.86 | ESR1 (0.41) | ACHEMAPTCYP3A4HPGDMAPK1 | |
| SCHEMBL8758914 | 0.86 | ESR1 (0.39) | ACHEMAPTCYP3A4HPGDMAPK1 | |
| SCHEMBL5676441 | 0.86 | SELL (0.40) | ACHEMAPTCYP3A4HPGDMAPK1 | |
| SCHEMBL10477445 | 0.82 | ACHE (0.37) | ACHEMAPTCYP3A4HPGDMAPK1 | |
| SCHEMBL9461239 | 0.82 | PGK1 (0.36) | CYP3A4MAPK1SLC11A2 | |
| SCHEMBL9510660 | 0.81 | ACHE (0.40) | ACHEMAPTCYP3A4HPGDMAPK1 | |
| SCHEMBL31545368 | 0.81 | HPGD (0.39) | ACHEMAPTCYP3A4HPGDMAPK1 | |
| SCHEMBL13736318 | 0.79 | ACHE (0.39) | ACHEMAPTCYP3A4HPGDMAPK1 | |
| SCHEMBL25328650 | 0.78 | ESR1 (0.43) | MAPTALDH1A1KDM4ECYP1A2CYP2C9 |
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-2017093938-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES | VIIV HEALTHCARE UK LIMITED (GB) | 2017-06-08 | — | — | WO | disclosed |