Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | CHKA | P35790 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13004095 | 0.77 | HRH3 (0.62) | ALDH1A1TP53MAPTTHRBHTT | |
| SCHEMBL13004090 | 0.72 | ALDH1A1 (0.60) | ALDH1A1 | |
| SCHEMBL8187884 | 0.69 | ALDH1A1 (0.39) | ALDH1A1MAPT | |
| SCHEMBL3931754 | 0.69 | CYP1A2 (0.40) | ALDH1A1 | |
| SCHEMBL9579433 | 0.69 | NQO1 (0.41) | MAPTTSHR | |
| SCHEMBL741062 | 0.69 | HRH3 (0.35) | HRH3HRH4CHKA | |
| Hydrochloric Acid SCHEMBL6578576 | 0.68 | ADORA2A (0.61) | ALDH1A1HRH3 | |
| SCHEMBL3735033 | 0.67 | KMT2A (0.42) | ALDH1A1TP53MAPT | |
| SCHEMBL13004096 | 0.66 | ALDH1A1 (0.59) | ALDH1A1TP53MAPTTHRBHTT | |
| SCHEMBL16336114 | 0.66 | ALDH1A1 (0.34) | ALDH1A1TP53MAPT |
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-2655362-A1 | HEPATITIS C INHIBITORS AND USES THEREOF | Abbvie Inc. (US) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012087833-A1 | HEPATITIS C INHIBITORS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2012-06-28 | — | — | WO | disclosed |