Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | NT5E | P21589 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | CASP1 | P29466 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | SUMO2 | P61956 | 2/20 | 0.32 |
| ▸ | SUMO1 | P63165 | 2/20 | 0.32 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.32 |
| ▸ | SENP3 | Q9H4L4 | 2/20 | 0.32 |
| ▸ | SENP2 | Q9HC62 | 2/20 | 0.32 |
| ▸ | SENP1 | Q9P0U3 | 2/20 | 0.32 |
| ▸ | CD44 | P16070 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4812407 | 0.91 | ALDH1A1 (0.41) | ALDH1A1TDP1HSD17B10NT5ECYP3A4 | |
| SCHEMBL11579509 | 0.81 | ALDH1A1 (0.42) | ALDH1A1TDP1HSD17B10NT5ECYP3A4 | |
| SCHEMBL8752103 | 0.76 | ALDH1A1 (0.38) | ALDH1A1TDP1HSD17B10NT5ECYP3A4 | |
| SCHEMBL9318936 | 0.75 | CD44 (0.39) | ALDH1A1TDP1CYP3A4GAACASP1 | |
| SCHEMBL28428985 | 0.75 | TDP1 (0.37) | ALDH1A1TDP1HSD17B10NT5ECYP3A4 | |
| SCHEMBL5181911 | 0.75 | ALDH1A1 (0.41) | ALDH1A1TDP1HSD17B10NT5ECYP3A4 | |
| SCHEMBL8375530 | 0.73 | CYP2C9 (0.43) | ALDH1A1TDP1HSD17B10NT5ECYP3A4 | |
| SCHEMBL2856393 | 0.73 | ALDH1A1 (0.40) | ALDH1A1TDP1HSD17B10NT5ECYP3A4 | |
| SCHEMBL16343725 | 0.72 | ALDH1A1 (0.41) | ALDH1A1TDP1HSD17B10NT5ECYP3A4 | |
| SCHEMBL8164868 | 0.72 | ALDH1A1 (0.46) | ALDH1A1TDP1HSD17B10NT5ECYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-4665177-A | Tetrahydropyrimidines, a process for their production and their use as catalysts in the production of polyurethane plastics | BAYER AKTIENGESELLSCHAFT (DE) | 1987-05-12 | — | — | US | disclosed |