Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | MAOA | P21397 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.49 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MITF | O75030 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | GFER | P55789 | 1/20 | 0.48 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.48 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3482287 | 1.00 | ALDH1A1 (0.61) | ALDH1A1TDP1CYP3A4TSHRMAOA | |
| SCHEMBL8578089 | 0.92 | ALDH1A1 (0.56) | ALDH1A1TDP1CYP3A4TSHRMAOA | |
| SCHEMBL8468200 | 0.91 | ESR2 (0.52) | ALDH1A1TDP1CYP3A4TSHRMAOA | |
| SCHEMBL554256 | 0.90 | ALDH1A1 (0.54) | ALDH1A1TDP1CYP3A4TSHRMAOA | |
| SCHEMBL8468976 | 0.86 | ALDH1A1 (0.45) | ALDH1A1TDP1CYP3A4TSHRMAOA | |
| SCHEMBL1128088 | 0.86 | SLC18A3 (0.50) | ALDH1A1TDP1CYP3A4MAPTMAOB | |
| SCHEMBL5284 | 0.86 | SLC18A3 (0.50) | ALDH1A1TDP1CYP3A4MAPTMAOB | |
| SCHEMBL900534 | 0.86 | SLC18A3 (0.50) | ALDH1A1TDP1CYP3A4MAPTMAOB | |
| SCHEMBL3482346 | 0.84 | ALDH1A1 (0.52) | ALDH1A1TDP1CYP3A4TSHRMAOA | |
| SCHEMBL30336654 | 0.84 | ALDH1A1 (0.47) | ALDH1A1TDP1CYP3A4TSHRMAOA |
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-2020039088-A2 | NOVEL COMPOUNDS | Xeniopro GmbH (DE) | 2020-02-27 | — | — | WO | disclosed |