Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | GRM8 | O00222 | 3/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 3/20 | 0.36 |
| ▸ | GRM6 | O15303 | 2/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1057425 | 0.88 | SMN1; SMN2 (0.42) | ALDH1A1SMN1; SMN2GRM8GRM4KMT2A | |
| SCHEMBL27600648 | 0.84 | ALDH1A1 (0.41) | ALDH1A1NPSR1SMN1; SMN2CES2ACHE | |
| SCHEMBL27600593 | 0.82 | SMN1; SMN2 (0.38) | ALDH1A1SMN1; SMN2GRM8GRM4KMT2A | |
| SCHEMBL27583165 | 0.82 | ALDH1A1 (0.40) | ALDH1A1NPSR1SMN1; SMN2KMT2ALMNA | |
| SCHEMBL16225603 | 0.78 | TP53 (0.42) | ALDH1A1SMN1; SMN2GRM8GRM4KMT2A | |
| SCHEMBL13758582 | 0.77 | KMT2A (0.43) | ALDH1A1NPSR1AKR1C3AKR1C2SMN1; SMN2 | |
| SCHEMBL6780117 | 0.77 | GRM8 (0.46) | ALDH1A1GRM8GRM4GRM6 | |
| SCHEMBL1057910 | 0.76 | KMT2A (0.51) | ALDH1A1SMN1; SMN2KMT2AHTTTSHR | |
| SCHEMBL7460567 | 0.76 | CA1 (0.40) | ALDH1A1NPSR1ENPP2ARKMT2A | |
| SCHEMBL17857084 | 0.75 | ALDH1A1 (0.46) | ALDH1A1NPSR1SMN1; SMN2CES2ENPP2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1476446-A | Benzodiazepine derivative | ֮����ʽ���� | 2004-02-18 | — | — | CN | disclosed |