Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 4/20 | 1.00 |
| ▸ | POLB | P06746 | 3/20 | 1.00 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 3/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 3/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.78 |
| ▸ | PDE5A | O76074 | 1/20 | 0.73 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.58 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.58 |
| ▸ | GBA1 | P04062 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | XBP1 | P17861 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL2590347 | 0.88 | ALDH1A1 (1.00) | MAPTCYP1A2POLBNPSR1CYP3A4 | |
| SCHEMBL1085047 | 0.85 | PDE5A (1.00) | MAPTCYP1A2POLBNPSR1CYP3A4 | |
| SCHEMBL4084599 | 0.82 | PDE5A (0.82) | MAPTCYP1A2POLBNPSR1CYP3A4 | |
| SCHEMBL4090063 | 0.80 | PDE5A (0.78) | MAPTCYP1A2POLBNPSR1CYP3A4 | |
| SCHEMBL4095681 | 0.76 | PDE5A (0.72) | MAPTCYP1A2POLBNPSR1CYP3A4 | |
| SCHEMBL12175988 | 0.76 | POLB (0.61) | MAPTCYP1A2POLBNPSR1CYP3A4 | |
| SCHEMBL28797852 | 0.76 | NPSR1 (0.65) | MAPTCYP1A2POLBNPSR1CYP3A4 | |
| SCHEMBL1083881 | 0.75 | PDE5A (0.78) | MAPTCYP1A2POLBNPSR1CYP3A4 | |
| SCHEMBL18353944 | 0.75 | GBA1 (0.93) | MAPTCYP1A2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL15289676 | 0.74 | POLB (0.98) | MAPTCYP1A2POLBNPSR1CYP3A4 |
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 |