Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 2/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27893721 | 0.82 | HRH3 (0.50) | HRH3SMN1; SMN2HPGDALDH1A1MEN1 | |
| SCHEMBL7770440 | 0.82 | HRH3 (0.50) | HRH3SMN1; SMN2HPGDALDH1A1MEN1 | |
| SCHEMBL10274867 | 0.81 | HRH3 (0.55) | HRH3SMN1; SMN2HPGDALDH1A1MEN1 | |
| SCHEMBL4055980 | 0.81 | HRH3 (0.55) | HRH3SMN1; SMN2HPGDALDH1A1MEN1 | |
| SCHEMBL769526 | 0.80 | TP53 (0.58) | SMN1; SMN2HPGDALDH1A1MEN1TSHR | |
| SCHEMBL186721 | 0.80 | HRH3 (0.51) | HRH3SMN1; SMN2HPGDALDH1A1MEN1 | |
| SCHEMBL28492122 | 0.80 | HRH3 (0.51) | HRH3SMN1; SMN2HPGDALDH1A1MEN1 | |
| SCHEMBL1295721 | 0.80 | HRH3 (0.51) | HRH3SMN1; SMN2HPGDALDH1A1MEN1 | |
| SCHEMBL5023573 | 0.79 | HRH3 (0.54) | HRH3SMN1; SMN2HPGDALDH1A1MEN1 | |
| SCHEMBL13291479 | 0.79 | HRH3 (0.54) | HRH3SMN1; SMN2HPGDALDH1A1MEN1 |
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-104876852-A | Vandetanib intermediate compound and preparation method thereof | SHANGHAI INST PHARM INDUSTRY | 2015-09-02 | — | — | CN | disclosed |