Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 3/20 | 0.36 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 6/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 5/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 5/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13221409 | 1.00 | HPGDS (0.36) | HPGDSSSTR3CHEK2GABRA1GABRG2 | |
| SCHEMBL12406068 | 0.91 | HPGDS (0.39) | HPGDSSSTR3CHEK2BACE1CYP2C9 | |
| SCHEMBL13221411 | 0.89 | GPR119 (0.34) | HPGDSCHEK2GABRA1GABRG2GABRB3 | |
| SCHEMBL10201175 | 0.89 | GPR119 (0.34) | HPGDSCHEK2GABRA1GABRG2GABRB3 | |
| SCHEMBL882833 | 0.89 | HPGDS (0.34) | HPGDSSSTR3GABRA1GABRG2GABRB3 | |
| SCHEMBL10201179 | 0.88 | HPGDS (0.34) | HPGDSSSTR3GABRA1GABRG2GABRB3 | |
| SCHEMBL13221410 | 0.88 | HPGDS (0.34) | HPGDSSSTR3GABRA1GABRG2GABRB3 | |
| SCHEMBL12295798 | 0.85 | HPGDS (0.40) | HPGDSSSTR3GABRA1GABRG2GABRB3 | |
| SCHEMBL1293217 | 0.84 | HPGDS (0.37) | HPGDSSSTR3CHEK2TBK1 | |
| SCHEMBL1293215 | 0.84 | HPGDS (0.37) | HPGDSSSTR3CHEK2TBK1 |
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-2601188-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-10-18 | — | — | EP | disclosed |
| WO-2012018325-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-02-09 | — | — | WO | disclosed |