Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | PRKACA | P17612 | 1/20 | 0.37 |
| ▸ | PRKACG | P22612 | 1/20 | 0.37 |
| ▸ | PRKACB | P22694 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
| ▸ | THRA | P10827 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6796164 | 0.81 | ADRA2A (0.49) | ADRA2AADRA1ACYP3A4CYP2D6MEN1 | |
| SCHEMBL14691495 | 0.81 | ADRA2A (0.49) | ADRA2AADRA1ACYP3A4CYP2D6MEN1 | |
| SCHEMBL1119249 | 0.79 | ALOX5 (0.54) | ALOX5PTGS2CA1CA2CYP3A4 | |
| SCHEMBL4136739 | 0.78 | GABRA1 (0.56) | CA1CA2CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL21526723 | 0.76 | ADRA2A (0.44) | ADRA2AADRA1ACYP2D6MEN1MAPK1 | |
| SCHEMBL6446902 | 0.75 | LCK (0.40) | ALOX5PTGS2CA1CA2CYP3A4 | |
| SCHEMBL22897820 | 0.74 | ADRA2A (0.46) | CA1CA2ADRA2AADRA1ACYP3A4 | |
| SCHEMBL6795750 | 0.74 | ADRA2A (0.46) | CA1CA2ADRA2AADRA1ACYP3A4 | |
| SCHEMBL2978694 | 0.74 | GABRA1 (0.52) | CA1CA2CYP3A4ALDH1A1MEN1 | |
| SCHEMBL25912511 | 0.74 | KDM4E (0.49) | CA1CA2ALDH1A1KMT2ATHRA |
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-2019152955-A9 | SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE MONOPHOSPHATE | EVERETT STEVEN ALBERT (US) | 2020-08-13 | — | — | WO | disclosed |