Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8914254 | 0.85 | CTSK (0.52) | ALDH1A1TDP1MAPK1POLBGAA | |
| SCHEMBL8912909 | 0.85 | CTSK (0.52) | ALDH1A1TDP1MAPK1POLBGAA | |
| SCHEMBL8913447 | 0.85 | CTSK (0.52) | ALDH1A1TDP1MAPK1POLBGAA | |
| SCHEMBL12959082 | 0.82 | LMNA (0.54) | ALDH1A1TDP1MAPK1POLBGAA | |
| SCHEMBL10409114 | 0.79 | ALDH1A1 (0.47) | ALDH1A1TDP1MAPK1CTSKLMNA | |
| SCHEMBL9701017 | 0.77 | PTPN1 (0.38) | ALDH1A1TSHR | |
| SCHEMBL4331527 | 0.77 | TDP1 (0.73) | ALDH1A1TDP1MAPK1LMNAADRB2 | |
| SCHEMBL10572764 | 0.77 | ALDH1A1 (0.52) | ALDH1A1TDP1MAPK1POLBGAA | |
| SCHEMBL10572757 | 0.77 | ALDH1A1 (0.52) | ALDH1A1TDP1MAPK1POLBGAA | |
| SCHEMBL28719426 | 0.76 | ALDH1A1 (0.52) | ALDH1A1TDP1MAPK1POLBGAA |
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 |
|---|---|---|---|---|---|---|---|
| JP-4169577-A | — | — | None | — | — | JP | disclosed |
| JP-H04169577-A | NEW BENZOYL ESTER AND DETERMINATION OF OPTICAL PURITY USING THE ESTER | NITTO DENKO CORP | 1992-06-17 | — | — | JP | disclosed |