Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.49 |
| ▸ | GSK3B | P49841 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.45 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.45 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | ACR | P10323 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 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 | |
|---|---|---|---|---|
| SCHEMBL3192402 | 0.88 | ALDH1A1 (0.48) | CES2CES1PTPN1GSK3BALDH1A1 | |
| SCHEMBL779219 | 0.85 | CES2 (0.64) | CES2CES1PTPN1GSK3BSRD5A2 | |
| SCHEMBL16174768 | 0.84 | CA1 (0.49) | ALDH1A1MAPTSRD5A2NR4A2PRSS1 | |
| SCHEMBL16973935 | 0.81 | CES2 (0.55) | CES2CES1PTPN1GSK3BALDH1A1 | |
| SCHEMBL3573152 | 0.81 | CES2 (0.59) | CES2CES1PTPN1GSK3BSRD5A2 | |
| SCHEMBL4946599 | 0.80 | CES2 (0.57) | CES2ALDH1A1SRD5A2MAOB | |
| SCHEMBL668192 | 0.80 | CA12 (0.61) | CES2CES1MAPTTRPV1 | |
| SCHEMBL15470661 | 0.80 | CYP1A1 (0.55) | CES2CES1PTPN1GSK3BALDH1A1 | |
| SCHEMBL5560398 | 0.79 | KMT2A (0.50) | CES2CES1PTPN1ALDH1A1MAPT | |
| SCHEMBL10959863 | 0.79 | CES2 (0.44) | CES2CES1PTPN1GSK3BALDH1A1 |
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-6410757-B1 | TAXANE COMPOUNDS | BIO RESEARCH CORPORATION OF YOKOHAMA (JP) | 2002-06-25 | — | — | US | claimed |