Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.47 |
| ▸ | GRM8 | O00222 | 1/20 | 0.46 |
| ▸ | GRM6 | O15303 | 1/20 | 0.46 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.44 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27879466 | 0.89 | SMN1; SMN2 (0.50) | SMN1; SMN2ALDH1A1HIF1AVCAM1GRM8 | |
| SCHEMBL27801903 | 0.89 | AKR1C3 (0.55) | SMN1; SMN2ALDH1A1HIF1AVCAM1GRM8 | |
| SCHEMBL14797548 | 0.85 | SMN1; SMN2 (0.50) | SMN1; SMN2ALDH1A1HIF1AVCAM1GRM8 | |
| SCHEMBL2340870 | 0.83 | EPAS1 (0.56) | SMN1; SMN2ALDH1A1HIF1AVCAM1GRM8 | |
| SCHEMBL12868652 | 0.83 | ALDH1A1 (0.56) | SMN1; SMN2ALDH1A1HIF1AVCAM1GRM8 | |
| SCHEMBL27745058 | 0.82 | ALDH1A1 (0.50) | ALDH1A1LMNAMEN1KMT2AMAPT | |
| SCHEMBL27541170 | 0.82 | ALDH1A1 (0.51) | SMN1; SMN2ALDH1A1GRM8GRM6GRM4 | |
| SCHEMBL27859132 | 0.82 | TSHR (0.54) | SMN1; SMN2ALDH1A1GRM8GRM6GRM4 | |
| SCHEMBL2698568 | 0.81 | ALDH1A1 (0.58) | SMN1; SMN2ALDH1A1HIF1AVCAM1GRM8 | |
| SCHEMBL30155394 | 0.81 | ALDH1A1 (0.58) | SMN1; SMN2ALDH1A1HIF1AVCAM1GRM8 |
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-101027054-A | Inhibitors of HSP90 | NOVARTIS AG (CH) | 2007-08-29 | — | — | CN | disclosed |