Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 4/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | EPM2A | O95278 | 1/20 | 0.35 |
| ▸ | PTPRC | P08575 | 1/20 | 0.35 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.35 |
| ▸ | CDC14A | Q9UNH5 | 1/20 | 0.35 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.35 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.35 |
| ▸ | WNT3A | P56704 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29956802 | 0.80 | CYP2A6 (0.51) | HTR1BCYP2A6CHRM2CHRM1CHRM3 | |
| SCHEMBL9113881 | 0.78 | CHRM2 (0.52) | HTR1BCYP2A6CHRM2CHRM1CHRM3 | |
| SCHEMBL2095978 | 0.78 | HTR1B (0.50) | HTR1BCYP2A6CHRM2CHRM1CHRM3 | |
| SCHEMBL4451104 | 0.74 | HTR1B (0.50) | HTR1BCYP2A6DYRK1ACDK9EPM2A | |
| SCHEMBL3792011 | 0.74 | HTR1B (0.55) | HTR1BCYP2A6CHRM2CHRM1CHRM3 | |
| SCHEMBL4521327 | 0.74 | HTR1B (0.50) | HTR1BCYP2A6CHRM2CHRM1CHRM3 | |
| SCHEMBL4526570 | 0.74 | HTR1B (0.50) | HTR1BCYP2A6CHRM2CHRM1CHRM3 | |
| SCHEMBL14051551 | 0.74 | HTR1B (0.50) | HTR1BCYP2A6CHRM2CHRM1CHRM3 | |
| SCHEMBL2763193 | 0.74 | HTR1B (0.50) | HTR1BCYP2A6CHRM2CHRM1CHRM3 | |
| SCHEMBL13714002 | 0.73 | HTR1B (0.53) | HTR1BCYP2A6DYRK1ACDK9EPM2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0670831-A1 | QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-09-13 | — | — | EP | disclosed |
| WO-1995009159-A1 | QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1995-04-06 | — | — | WO | disclosed |