Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.62 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.61 |
| ▸ | GAA | P10253 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | CNR1 | P21554 | 1/20 | 0.55 |
| ▸ | CNR2 | P34972 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12545944 | 0.88 | HSP90AA1 (0.57) | HSP90AA1HSP90AB1ALDH1A1NPSR1GAA | |
| SCHEMBL12545919 | 0.85 | HTT (0.57) | SMN1; SMN2TSHRKMT2A | |
| SCHEMBL7121916 | 0.84 | SMN1; SMN2 (0.77) | ALDH1A1NPSR1GAASMN1; SMN2TP53 | |
| SCHEMBL554704 | 0.81 | MGLL (0.67) | HSP90AA1HSP90AB1ALDH1A1NPSR1GAA | |
| SCHEMBL18930367 | 0.81 | HPGD (0.49) | HSP90AA1HSP90AB1ALDH1A1CNR1CNR2 | |
| SCHEMBL3871764 | 0.81 | NPSR1 (0.57) | ALDH1A1NPSR1GAASMN1; SMN2TP53 | |
| SCHEMBL10013747 | 0.80 | HTT (0.72) | ALDH1A1NPSR1GAASMN1; SMN2PKM | |
| SCHEMBL9124217 | 0.80 | ALDH1A1 (0.56) | HSP90AA1HSP90AB1ALDH1A1NPSR1GAA | |
| SCHEMBL19657273 | 0.79 | HSP90AA1 (0.57) | HSP90AA1HSP90AB1ALDH1A1NPSR1GAA | |
| SCHEMBL12141974 | 0.79 | SMN1; SMN2 (0.53) | HSP90AA1HSP90AB1ALDH1A1NPSR1GAA |
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-2017093543-A2 | ANTI-BACTERIAL COMPOUNDS | AUSPHERIX LIMITED (GB) | 2017-06-08 | — | — | WO | disclosed |