Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | LGALS1 | P09382 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CASP2 | P42575 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.35 |
| ▸ | KIFC1 | Q9BW19 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16501714 | 0.91 | NPSR1 (0.50) | NPSR1ALDH1A1LGALS1CYP1A2CYP2D6 | |
| SCHEMBL13992478 | 0.90 | NPSR1 (0.44) | NPSR1ALDH1A1LGALS1CYP1A2CYP2D6 | |
| SCHEMBL13992479 | 0.90 | NPSR1 (0.54) | NPSR1ALDH1A1LGALS1CYP1A2CYP2D6 | |
| SCHEMBL10046768 | 0.88 | NPSR1 (0.49) | NPSR1ALDH1A1LGALS1CYP1A2CYP2D6 | |
| SCHEMBL16501703 | 0.82 | THRA (0.42) | NPSR1ALDH1A1LGALS1CYP1A2CYP2D6 | |
| SCHEMBL15698392 | 0.77 | CYP2D6 (0.49) | NPSR1ALDH1A1LGALS1CYP1A2CYP2D6 | |
| SCHEMBL10046737 | 0.76 | THRA (0.42) | NPSR1ALDH1A1LGALS1CYP1A2CYP2D6 | |
| SCHEMBL14213207 | 0.76 | CYP1A2 (0.48) | NPSR1ALDH1A1LGALS1CYP1A2CYP2D6 | |
| SCHEMBL15698374 | 0.76 | BCHE (0.43) | NPSR1ALDH1A1TSHRBCHEACHE | |
| SCHEMBL15698393 | 0.75 | BCHE (0.46) | ALDH1A1TSHRBCHEACHEHTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1802291-B1 | CALIXARENE-BASED PEPTIDE CONFORMATION MIMETICS, METHODS OF USE, AND METHODS OF MAKING | UNIV MINNESOTA (US) | 2011-12-07 | — | — | EP | disclosed |