Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | GGT1 | P19440 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ODC1 | P11926 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | BLM | P54132 | 2/20 | 0.33 |
| ▸ | ARG1 | P05089 | 1/20 | 0.33 |
| ▸ | ARG2 | P78540 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL18095557 | 1.00 | KDM4E (0.41) | KDM4ENOS1NOS2GGT1TSHR | |
| Trifluoroacetic Acid SCHEMBL6596078 | 1.00 | KDM4E (0.41) | KDM4ENOS1NOS2GGT1TSHR | |
| Trifluoroacetic Acid SCHEMBL19411882 | 0.86 | KDM4E (0.42) | KDM4ENOS1NOS2GGT1TSHR | |
| Trifluoroacetic Acid SCHEMBL3424222 | 0.84 | ALDH1A1 (0.41) | NOS1NOS2GGT1TSHRALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL2267588 | 0.83 | ALDH1A1 (0.44) | NOS1NOS2GGT1TSHRALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL5608867 | 0.82 | ALDH1A1 (0.40) | NOS1NOS2GGT1TSHRALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL5608868 | 0.82 | ALDH1A1 (0.40) | NOS1NOS2GGT1TSHRALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL359979 | 0.80 | FAAH (0.39) | NOS1NOS2TSHRALDH1A1HRH4 | |
| Trifluoroacetic Acid SCHEMBL7440809 | 0.80 | ALDH1A1 (0.42) | NOS1NOS2GGT1TSHRALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL5567529 | 0.80 | GLRA1 (0.37) | KDM4ENOS1NOS2ALDH1A1ODC1 |
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-1799699-A1 | ANALOGS OF 17-HYDROXYWORTMANNIN AS PI3K INHIBITORS | Wyeth (US) | 2007-06-27 | — | — | EP | disclosed |
| WO-2006044453-A1 | ANALOGS OF 17-HYDROXYWORTMANNIN AS PI3K INHIBITORS | WYETH (US) | 2006-04-27 | — | — | WO | disclosed |