Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 8/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.44 |
| ▸ | MEN1 | O00255 | 6/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10758515 | 0.73 | AR (0.35) | MEN1KMT2A | |
| SCHEMBL18528748 | 0.68 | MTNR1A (0.35) | MAPT | |
| SCHEMBL5269023 | 0.68 | PARP1 (0.43) | KMT2AHSD17B10ALDH1A1 | |
| SCHEMBL13984387 | 0.67 | CYP1A2 (0.65) | CYP1A2CLK4CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL14529693 | 0.67 | CYP1A2 (0.60) | CYP1A2CLK4CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL3109055 | 0.67 | CYP1A2 (0.64) | CYP1A2CLK4CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL5051433 | 0.65 | ESR1 (0.51) | MEN1KMT2AMAPT | |
| SCHEMBL13784817 | 0.65 | ESR1 (0.51) | MEN1KMT2AMAPT | |
| SCHEMBL13306192 | 0.65 | ESR1 (0.51) | MEN1KMT2AMAPT | |
| SCHEMBL30124970 | 0.65 | ESR1 (0.51) | MEN1KMT2AMAPT |
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-2566480-A2 | METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE | California Institute of Technology (US) | 2013-03-13 | — | — | EP | disclosed |
| WO-2011140527-A2 | METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE | CALIFORNIA INSTITUTE OF TECHNOLOGY AND THE UNIVERSITY OF KANSAS (US) | 2011-11-10 | — | — | WO | disclosed |