Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19729322 | 0.82 | ALDH1A1 (0.53) | ALDH1A1MCL1SMN1; SMN2TSHRMAPT | |
| SCHEMBL1417193 | 0.81 | — | — | |
| SCHEMBL10906552 | 0.74 | POLB (0.49) | ALDH1A1GAASMN1; SMN2TSHRMAPT | |
| SCHEMBL28121480 | 0.72 | TSHR (0.56) | ALDH1A1GAASMN1; SMN2TSHRMAPT | |
| SCHEMBL325076 | 0.70 | ALDH1A1 (0.62) | ALDH1A1GAASMN1; SMN2TSHRMAPT | |
| Iodide SCHEMBL8715119 | 0.68 | ALDH1A1 (0.59) | ALDH1A1GAASMN1; SMN2TSHRMAPT | |
| SCHEMBL517963 | 0.67 | — | — | |
| Bicarbonate SCHEMBL10658581 | 0.67 | TSHR (0.48) | ALDH1A1GAASMN1; SMN2TSHRMAPT | |
| Thiourea SCHEMBL5598366 | 0.66 | MCL1 (0.46) | ALDH1A1GAAMCL1SMN1; SMN2TSHR | |
| Acrylamide SCHEMBL27665941 | 0.66 | TSHR (0.58) | ALDH1A1GAASMN1; SMN2TSHRMAPT |
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-2016081522-A1 | NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY | RHODE ISLAND HOSPITAL (US) | 2016-05-26 | — | — | WO | disclosed |