Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 4/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 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 | |
|---|---|---|---|---|
| SCHEMBL29247980 | 0.80 | KMT2A (0.52) | ALDH1A1KDM4ETSHRHSD17B10GAA | |
| SCHEMBL28181393 | 0.77 | ALDH1A1 (0.42) | ALDH1A1GAAHPGDATMKMT2A | |
| SCHEMBL27812955 | 0.76 | KLKB1 (0.41) | ALDH1A1KDM4ETSHRHSD17B10GAA | |
| SCHEMBL27513747 | 0.75 | ALDH1A1 (0.55) | ALDH1A1KDM4ETSHRHSD17B10GAA | |
| SCHEMBL28182150 | 0.74 | ALDH1A1 (0.46) | ALDH1A1KDM4ETSHRHSD17B10GAA | |
| SCHEMBL11442217 | 0.74 | CYP2D6 (0.65) | ALDH1A1KDM4EGAAL3MBTL1HPGD | |
| SCHEMBL20943429 | 0.74 | ALDH1A1 (0.83) | ALDH1A1KDM4ETSHRHSD17B10GAA | |
| SCHEMBL23035655 | 0.73 | ALDH1A1 (0.61) | ALDH1A1KDM4ETSHRHSD17B10GAA | |
| SCHEMBL16755643 | 0.73 | ALDH1A1 (0.61) | ALDH1A1KDM4ETSHRHSD17B10GAA | |
| SCHEMBL19416754 | 0.73 | ALDH1A1 (0.48) | ALDH1A1KDM4ETSHRHSD17B10GAA |
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-107286181-A | Aryl oxazines and imidazole thione class compound and preparation method | 浙江大学 | 2017-10-24 | — | — | CN | disclosed |