Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ALDH1A3 | P47895 | 4/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.34 |
| ▸ | PDK3 | Q15120 | 3/20 | 0.34 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.34 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.34 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | KCNJ1 | P48048 | 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 | |
|---|---|---|---|---|
| SCHEMBL10972417 | 0.89 | ALDH1A1 (0.55) | ALDH1A1MEN1KMT2AGAAMAPT | |
| SCHEMBL24359114 | 0.77 | TSHR (0.50) | ALDH1A1MEN1KMT2ATSHRPDK1 | |
| SCHEMBL3109968 | 0.77 | ATAD2 (0.42) | ALDH1A1MEN1KMT2AGAAMAPT | |
| SCHEMBL13505919 | 0.73 | ALDH1A1 (0.63) | ALDH1A1MEN1KMT2AGAAMAPT | |
| SCHEMBL9230128 | 0.72 | POLB (0.51) | MEN1KMT2AGAATSHRSMN1; SMN2 | |
| SCHEMBL811848 | 0.72 | POLB (0.51) | MEN1KMT2AGAATSHRSMN1; SMN2 | |
| SCHEMBL15222054 | 0.72 | POLB (0.51) | MEN1KMT2AGAATSHRSMN1; SMN2 | |
| SCHEMBL29659945 | 0.72 | POLB (0.51) | MEN1KMT2AGAATSHRSMN1; SMN2 | |
| SCHEMBL20283376 | 0.71 | ALDH1A1 (0.38) | ALDH1A1MEN1KMT2AGAAMAPT | |
| SCHEMBL19582631 | 0.70 | ALDH1A1 (0.79) | ALDH1A1MEN1KMT2AGAAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996006070-A1 | DISUBSTITUTED ARYL AND HETEROARYL IMINES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | ALLERGAN (US) | 1996-02-29 | — | — | WO | disclosed |