Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 3/20 | 0.34 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.31 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.30 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | PRCP | P42785 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16229701 | 0.93 | SSTR3 (0.35) | HPGDSSSTR3 | |
| SCHEMBL12328003 | 0.92 | HPGDS (0.36) | HPGDSSSTR3NR1I2ABCB11CYP3A4 | |
| SCHEMBL16229709 | 0.91 | GABRA1 (0.35) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL13221409 | 0.89 | HPGDS (0.36) | HPGDSSSTR3GABRA1GABRG2GABRB3 | |
| SCHEMBL10201173 | 0.89 | HPGDS (0.36) | HPGDSSSTR3GABRA1GABRG2GABRB3 | |
| SCHEMBL12373653 | 0.87 | GABRA1 (0.35) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL10202474 | 0.87 | GABRA1 (0.35) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL12295800 | 0.86 | GABRA5 (0.38) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL883264 | 0.85 | CYP3A4 (0.42) | HPGDSNR1I2ABCB11CYP3A4CYP2C9 | |
| SCHEMBL12328180 | 0.85 | KRAS (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012039717-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-29 | — | — | WO | disclosed |
| WO-2010117635-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-10-14 | — | — | WO | disclosed |