Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.32 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL220318 | 0.81 | VCAM1 (0.47) | TSHRSMN1; SMN2HTTVCAM1ALDH1A1 | |
| SCHEMBL30694393 | 0.81 | VCAM1 (0.47) | TSHRSMN1; SMN2HTTVCAM1ALDH1A1 | |
| SCHEMBL645262 | 0.73 | TSHR (0.48) | TSHRCA1CA2ESR2SMN1; SMN2 | |
| Nitric Acid SCHEMBL20984365 | 0.69 | HTT (0.36) | TSHRCA1CA2SMN1; SMN2HTT | |
| SCHEMBL16959424 | 0.69 | TDP1 (0.42) | TSHRSMN1; SMN2VCAM1ALDH1A1GPR35 | |
| SCHEMBL1285613 | 0.69 | ALDH1A1 (0.43) | TSHRCA1CA2ESR2SMN1; SMN2 | |
| SCHEMBL30473828 | 0.69 | ALDH1A1 (0.43) | TSHRCA1CA2ESR2SMN1; SMN2 | |
| SCHEMBL769669 | 0.69 | DYRK1A (0.46) | TSHRCA1CA2SMN1; SMN2HIF1A | |
| SCHEMBL30539289 | 0.69 | KDM4E (0.53) | TSHRCA1CA2ESR2SMN1; SMN2 | |
| SCHEMBL769417 | 0.69 | KDM4E (0.53) | TSHRCA1CA2ESR2SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20150364311-A1 | COMPOSITIONS AND METHODS FOR MASS SPECTOMETRY | MSTM, LLC | 2015-12-17 | — | — | US | disclosed |