Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.36 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.36 |
| ▸ | NCEH1 | Q6PIU2 | 2/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9746832 | 0.79 | NCEH1 (0.45) | VCAM1CYP3A4CA1CA2HTT | |
| SCHEMBL8691455 | 0.79 | TDP1 (0.52) | CYP3A4ESR1ESR2HTTHSP90AA1 | |
| SCHEMBL6121655 | 0.76 | CYP3A4 (0.44) | CYP3A4ESR1ESR2HTTGSK3B | |
| SCHEMBL18829453 | 0.76 | CYP3A4 (0.44) | CYP3A4ESR1ESR2HTTGSK3B | |
| SCHEMBL9747008 | 0.75 | CA1 (0.44) | CA1CA2NCEH1 | |
| SCHEMBL12170111 | 0.74 | MEN1 (0.48) | CYP3A4HTTMEN1KMT2AUSP2 | |
| SCHEMBL9747000 | 0.74 | CA2 (0.49) | VCAM1CYP3A4CA1CA2ESR1 | |
| SCHEMBL203082 | 0.74 | VCAM1 (0.64) | VCAM1CYP3A4KAT2BMEN1KMT2A | |
| SCHEMBL1344051 | 0.72 | ALDH1A1 (0.56) | VCAM1CA1CA2CTSBKAT2B | |
| SCHEMBL13037656 | 0.72 | CA2 (0.55) | CA1CA2NCEH1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0511152-A2 | Quinoxaline compounds, their preparation and use | NOVO NORDISK A/S (DK) | 1992-10-28 | — | — | EP | disclosed |