Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 3/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28425939 | 0.77 | HTR1B (0.34) | KDM4EALDH1A1TSHRMAPK1GAA | |
| SCHEMBL1138569 | 0.75 | ESR2 (0.35) | ARKDM4EALDH1A1TP53TSHR | |
| SCHEMBL28428114 | 0.69 | CA1 (0.40) | SMN1; SMN2KDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL16276504 | 0.67 | TSHR (0.45) | ARSMN1; SMN2NPC1ALDH1A1RAB9A | |
| SCHEMBL9894281 | 0.67 | GAA (0.33) | ARKDM4EALDH1A1TP53TSHR | |
| 1,3-Propanediol SCHEMBL4733793 | 0.66 | TSHR (0.41) | KDM4EALDH1A1TSHRGAA | |
| SCHEMBL28813910 | 0.66 | GAA (0.37) | SMN1; SMN2KDM4ENPC1ALDH1A1TP53 | |
| SCHEMBL19069862 | 0.66 | TSHR (0.37) | ARSMN1; SMN2NPC1ALDH1A1RAB9A | |
| SCHEMBL28430059 | 0.66 | CA1 (0.41) | SMN1; SMN2KDM4EALDH1A1NPSR1TSHR | |
| SCHEMBL28422666 | 0.65 | ENPP2 (0.46) | HTR2BALDH1A1TSHRMAPK1GAA |
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-112250702-A | Preparation method of 1, 3-propylene glycol o-cyanobenzene borate | 沧州普瑞东方科技有限公司 | 2021-01-22 | — | — | CN | claimed |