Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.51 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | EIF4E | P06730 | 1/20 | 0.48 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 2/20 | 0.45 |
| ▸ | PPARA | Q07869 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | PTPN11 | Q06124 | 3/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 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 | |
|---|---|---|---|---|
| SCHEMBL23354195 | 0.84 | MEN1 (0.58) | SMN1; SMN2TAS2R14MAPTALDH1A1MEN1 | |
| SCHEMBL29979341 | 0.84 | MEN1 (0.58) | SMN1; SMN2TAS2R14MAPTALDH1A1MEN1 | |
| SCHEMBL27636056 | 0.83 | IGF2BP2 (0.59) | SMN1; SMN2FOLH1EIF4ECDK2 | |
| SCHEMBL27634776 | 0.81 | MAPT (0.50) | TAS2R14MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL5342329 | 0.80 | SMN1; SMN2 (0.84) | SMN1; SMN2MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL28214486 | 0.79 | SMN1; SMN2 (0.54) | SMN1; SMN2FOLH1HSD17B10PTPN11PTPN1 | |
| SCHEMBL9723788 | 0.77 | BACE1 (0.59) | SMN1; SMN2MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL27795075 | 0.77 | PTPN11 (0.60) | SMN1; SMN2ALDH1A1FOLH1HSD17B10PTPN11 | |
| SCHEMBL6640302 | 0.76 | PTPN11 (0.59) | SMN1; SMN2ALDH1A1FOLH1TSHRHSD17B10 | |
| Hydrochloric Acid SCHEMBL9723743 | 0.76 | BACE1 (0.58) | SMN1; SMN2MAPTALDH1A1MEN1KMT2A |
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-104903300-A | Comt inhibitors | HOFFMANN LA ROCHE | 2015-09-09 | — | — | CN | disclosed |