Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | AGXT | P21549 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28482210 | 0.84 | ACHE (0.54) | ACHECA1CA2CA7CA9 | |
| SCHEMBL7007855 | 0.80 | ACHE (0.50) | ACHECA1CA2CA7CA9 | |
| SCHEMBL28277390 | 0.80 | ACHE (0.50) | ACHECA1CA2CA7CA9 | |
| SCHEMBL13140628 | 0.77 | ACHE (0.35) | ACHE | |
| 1,3-Dimethoxybenzene SCHEMBL901285 | 0.77 | ACHE (0.70) | ACHECA1CA2CA7CA9 | |
| 1,3-Dimethoxybenzene SCHEMBL9350 | 0.77 | ACHE (0.70) | ACHECA1CA2CA7CA9 | |
| SCHEMBL13639148 | 0.77 | TP53 (0.55) | ALDH1A1CYP3A4SMN1; SMN2CYP1A2 | |
| SCHEMBL14500179 | 0.75 | ALDH1A1 (0.61) | CA1CA2CA7CA9ALDH1A1 | |
| 1,3-Dimethoxybenzene SCHEMBL7860661 | 0.75 | ACHE (0.67) | ACHECA1CA2CA7CA9 | |
| 1,3-Dimethoxybenzene SCHEMBL28343465 | 0.75 | ACHE (0.67) | ACHECA1CA2CA7CA9 |
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-2340830-A2 | Hepatitis C Virus Inhibitors | Bristol-Myers Squibb Company (US) | 2011-07-06 | — | — | EP | disclosed |
| WO-2007078251-A1 | COMPOUNDS | ASTRAZENECA AB (SE) | 2007-07-12 | — | — | WO | disclosed |