Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | TOP2A | P11388 | 2/20 | 0.42 |
| ▸ | TOP2B | Q02880 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 3/20 | 0.33 |
| ▸ | NOS2 | P35228 | 3/20 | 0.33 |
| ▸ | NOS1 | P29475 | 3/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.30 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL20707537 | 1.00 | LMNA (0.51) | LMNATOP2ATOP2BNPC1TP53 | |
| SCHEMBL13298372 | 1.00 | LMNA (0.51) | LMNATOP2ATOP2BNPC1TP53 | |
| SCHEMBL8306920 | 1.00 | LMNA (0.51) | LMNATOP2ATOP2BNPC1TP53 | |
| SCHEMBL16768636 | 1.00 | LMNA (0.51) | LMNATOP2ATOP2BNPC1TP53 | |
| SCHEMBL279589 | 1.00 | LMNA (0.51) | LMNATOP2ATOP2BNPC1TP53 | |
| SCHEMBL19524890 | 0.98 | LMNA (0.50) | LMNATOP2ATOP2BNPC1TP53 | |
| SCHEMBL16404044 | 0.98 | LMNA (0.50) | LMNATOP2ATOP2BNPC1TP53 | |
| SCHEMBL18612775 | 0.95 | — | — | |
| SCHEMBL16404043 | 0.89 | LMNA (0.44) | LMNATOP2ATOP2BNPC1TP53 | |
| SCHEMBL15765621 | 0.87 | LMNA (0.43) | LMNATOP2ATOP2BNPC1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020036154-A1 | NOVEL MEDICAMENT FOR TREATING INFLAMMATORY BOWEL DISEASE | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2020-02-20 | — | — | WO | disclosed |