Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.45 |
| ▸ | GCG | P01275 | 1/20 | 0.44 |
| ▸ | CCKBR | P32239 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22975088 | 0.84 | HDAC1 (0.48) | ALDH1A1FFAR1LMNACYP3A4THRB | |
| SCHEMBL5860319 | 0.83 | MEN1 (0.47) | ALDH1A1POLBFFAR1MEN1KMT2A | |
| SCHEMBL5860329 | 0.83 | MEN1 (0.47) | ALDH1A1POLBFFAR1MEN1KMT2A | |
| SCHEMBL9335465 | 0.79 | ALDH1A1 (0.47) | ALDH1A1POLBMEN1KMT2ALMNA | |
| SCHEMBL9601332 | 0.79 | ALDH1A1 (0.47) | ALDH1A1POLBMEN1KMT2ALMNA | |
| SCHEMBL30455907 | 0.75 | HDAC1 (0.49) | ALDH1A1MEN1KMT2ACYP3A4ALOX15 | |
| SCHEMBL1167951 | 0.74 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2ALMNATP53 | |
| SCHEMBL17604274 | 0.74 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2ALMNATP53 | |
| SCHEMBL22773555 | 0.74 | RAB9A (0.44) | ALDH1A1MEN1KMT2AFOLH1TP53 | |
| SCHEMBL5399615 | 0.74 | KMT2A (0.44) | ALDH1A1POLBMEN1KMT2ALMNA |
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-104829533-A | Preparation method of tolvaptan key intermediate | GUANG AN KAITE PHARMACEUTICAL CHEMICAL CO LTD | 2015-08-12 | — | — | CN | disclosed |