Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3275078 | 0.83 | CES2 (0.52) | CES2CES1PTPN1KMT2AALDH1A1 | |
| SCHEMBL7199956 | 0.83 | CES2 (0.52) | CES2CES1PTPN1KMT2AALDH1A1 | |
| SCHEMBL3275083 | 0.83 | CES2 (0.52) | CES2CES1PTPN1KMT2AALDH1A1 | |
| SCHEMBL14577781 | 0.83 | CES2 (0.52) | CES2CES1PTPN1KMT2AALDH1A1 | |
| SCHEMBL11463335 | 0.82 | PTPN1 (0.59) | CES2CES1PTPN1KMT2AALDH1A1 | |
| SCHEMBL6639223 | 0.82 | PTPN1 (0.59) | CES2CES1PTPN1KMT2AALDH1A1 | |
| SCHEMBL6639226 | 0.82 | PTPN1 (0.59) | CES2CES1PTPN1KMT2AALDH1A1 | |
| SCHEMBL11520441 | 0.81 | CES2 (0.52) | CES2CES1PTPN1KMT2AALDH1A1 | |
| SCHEMBL11520444 | 0.81 | CES2 (0.52) | CES2CES1PTPN1KMT2AALDH1A1 | |
| SCHEMBL11037560 | 0.81 | CES2 (0.52) | CES2CES1PTPN1KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4144391-A | REPLACING AN ACETOXY GROUP BY A SULFUR NUCLEOPHILE | ELI LILLY AND COMPANY (US) | 1979-03-13 | — | — | US | disclosed |