Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.42 |
| ▸ | NQO2 | P16083 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | HTR1D | P28221 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18331056 | 1.00 | ALDH1A1 (0.56) | ALDH1A1HTTALOX15PTPN1THRB | |
| SCHEMBL3143446 | 0.84 | HTT (0.49) | ALDH1A1HTTALOX15PTPN1THRB | |
| SCHEMBL8950167 | 0.84 | ALDH1A1 (0.49) | ALDH1A1HTTALOX15PTPN1THRB | |
| SCHEMBL19627186 | 0.83 | THRB (0.61) | ALDH1A1ALOX15THRBMAPTSMN1; SMN2 | |
| SCHEMBL8175604 | 0.81 | MEN1 (0.47) | ALDH1A1HTTALOX15THRBMAPT | |
| SCHEMBL31425808 | 0.81 | MEN1 (0.47) | ALDH1A1HTTALOX15THRBMAPT | |
| SCHEMBL4153178 | 0.79 | MTNR1A (0.66) | ALDH1A1HTTMAPTMTNR1AMTNR1B | |
| SCHEMBL5340186 | 0.79 | MTNR1A (0.69) | ALDH1A1HTTMTNR1AMTNR1BNQO2 | |
| Methylene Chloride SCHEMBL8520941 | 0.78 | MEN1 (0.45) | ALDH1A1HTTALOX15THRBMAPT | |
| SCHEMBL29852837 | 0.78 | HTT (0.47) | ALDH1A1HTTPTPN1MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115667275-B | Boron-containing compounds and uses thereof | 南京再明医药有限公司 | 2024-02-23 | — | — | CN | disclosed |
| CN-115667275-A | Boron-containing compounds and their use | 先声药业有限公司 | 2023-01-31 | — | — | CN | disclosed |