Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | CPB1 | P15086 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | CASP3 | P42574 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | CTSB | P07858 | 3/20 | 0.52 |
| ▸ | CTSK | P43235 | 3/20 | 0.52 |
| ▸ | CTSS | P25774 | 2/20 | 0.52 |
| ▸ | CTSL | P07711 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL5751554 | 1.00 | EPHX1 (0.58) | EPHX1ALDH1A1GAACPB1TSHR | |
| SCHEMBL5749471 | 1.00 | EPHX1 (0.58) | EPHX1ALDH1A1GAACPB1TSHR | |
| SCHEMBL760437 | 1.00 | EPHX1 (0.58) | EPHX1ALDH1A1GAACPB1TSHR | |
| SCHEMBL13917140 | 1.00 | EPHX1 (0.58) | EPHX1ALDH1A1GAACPB1TSHR | |
| SCHEMBL13326281 | 1.00 | EPHX1 (0.58) | EPHX1ALDH1A1GAACPB1TSHR | |
| SCHEMBL31064941 | 0.97 | ALDH1A1 (0.57) | EPHX1ALDH1A1GAACPB1TSHR | |
| SCHEMBL5896898 | 0.97 | ALDH1A1 (0.57) | EPHX1ALDH1A1GAACPB1TSHR | |
| SCHEMBL5897664 | 0.97 | ALDH1A1 (0.57) | EPHX1ALDH1A1GAACPB1TSHR | |
| SCHEMBL5896895 | 0.97 | ALDH1A1 (0.57) | EPHX1ALDH1A1GAACPB1TSHR | |
| SCHEMBL5897658 | 0.97 | ALDH1A1 (0.57) | EPHX1ALDH1A1GAACPB1TSHR |
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-2017029602-A2 | COMPOUNDS FOR USE IN ANTIBACTERIAL APPLICATIONS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2017-02-23 | — | — | WO | disclosed |