Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | CNR1 | P21554 | 4/20 | 0.42 |
| ▸ | CNR2 | P34972 | 2/20 | 0.42 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.42 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL28078269 | 0.98 | CTSD (0.43) | CTSDALDH1A1KDM4EBCAT2GAA | |
| Hydrochloric Acid SCHEMBL11651001 | 0.84 | CNR1 (0.46) | CTSDALDH1A1KDM4EGAAMAPT | |
| SCHEMBL7332020 | 0.81 | MME (0.54) | ALDH1A1KDM4EGAAMAPTNPC1 | |
| SCHEMBL11845564 | 0.80 | NAAA (0.43) | ALDH1A1KDM4EBCAT2GAAMAPT | |
| SCHEMBL7112889 | 0.80 | CYP3A4 (0.53) | ALDH1A1KDM4EGAAMAPTCNR1 | |
| SCHEMBL30175033 | 0.80 | KMT2A (0.55) | GAAPOLB | |
| SCHEMBL7330779 | 0.79 | CTSS (0.54) | — | |
| SCHEMBL8953892 | 0.79 | CTSD (0.64) | CTSDALDH1A1KDM4EGAAMAPT | |
| SCHEMBL11717076 | 0.77 | ALDH1A1 (0.50) | ALDH1A1KDM4EGAAMAPTNPC1 | |
| SCHEMBL10418937 | 0.77 | HPGD (0.51) | ALDH1A1KDM4EGAAMAPTNPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105859692-B | Thioether compound containing pyrimidine, thiadiazole ring and amide structure and application thereof | 浙江工业大学 | 2018-02-27 | — | — | CN | disclosed |
| CN-105859692-A | Thioether compound containing pyrimidine, thiadiazole ring and amide structure and application thereof | 浙江工业大学 | 2016-08-17 | — | — | CN | disclosed |
| US-20090124760-A1 | POLYOLEFIN HYBRID POLYMER AND METHOD FOR MANUFACTURING THE SAME | MITSUI CHEMICALS, INC. (JP) | 2009-05-14 | — | — | US | disclosed |