Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 7/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.33 |
| ▸ | NQO2 | P16083 | 2/20 | 0.32 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18330776 | 0.91 | ALDH1A1 (0.38) | ALDH1A1HTTMTNR1APTPN1MAPT | |
| SCHEMBL23958420 | 0.85 | MTNR1A (0.37) | ALDH1A1HTTMTNR1AMAPTSMN1; SMN2 | |
| SCHEMBL28969310 | 0.79 | HTT (0.39) | ALDH1A1HTTMTNR1APTPN1MAPT | |
| SCHEMBL23958489 | 0.78 | EGFR (0.34) | MTNR1AMAPTSMN1; SMN2TP53MTNR1B | |
| SCHEMBL20082781 | 0.78 | MAPT (0.41) | ALDH1A1MAPTSMN1; SMN2TP53MTNR1B | |
| SCHEMBL18330811 | 0.76 | ALDH1A1 (0.42) | ALDH1A1HTTPTPN1MAPTSMN1; SMN2 | |
| SCHEMBL30211117 | 0.76 | ALDH1A1 (0.42) | ALDH1A1HTTPTPN1MAPTSMN1; SMN2 | |
| SCHEMBL18331322 | 0.73 | PSMB5 (0.44) | PSMB5 | |
| SCHEMBL22002240 | 0.72 | PSMB5 (0.46) | PSMB5 | |
| SCHEMBL29592044 | 0.71 | PTPN1 (0.47) | ALDH1A1HTTMTNR1APTPN1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021213358-A1 | BORON-CONTAINING COMPOUNDS AND APPLICATION THEREOF | 江苏先声药业有限公司 (CN) | 2021-10-28 | — | — | WO | disclosed |
| WO-2021213358-A1 | BORON-CONTAINING COMPOUNDS AND APPLICATION THEREOF | 江苏先声药业有限公司 (CN) | 2021-10-28 | — | — | WO | disclosed |