Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 2/20 | 0.42 |
| ▸ | PPARA | Q07869 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.42 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.42 |
| ▸ | GCGR | P47871 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ALKBH1 | Q13686 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28710153 | 0.87 | SMN1; SMN2 (0.44) | MEN1KMT2AP2RX4ALDH1A1L3MBTL1 | |
| SCHEMBL29010232 | 0.86 | MGLL (0.41) | ALDH1A1ALKBH1 | |
| SCHEMBL29010236 | 0.85 | PARP1 (0.48) | MAPTP2RX4DHODHALDH1A1L3MBTL1 | |
| SCHEMBL28694270 | 0.84 | FNTA (0.46) | ALKBH1 | |
| SCHEMBL28696515 | 0.83 | RAB9A (0.44) | MAPTMEN1KMT2ANPC1RAB9A | |
| SCHEMBL29010233 | 0.79 | GABRG2 (0.49) | P2RX4ALDH1A1L3MBTL1NPC1RAB9A | |
| SCHEMBL28710156 | 0.79 | MGLL (0.45) | MAPTL3MBTL1NPC1RAB9AALKBH1 | |
| SCHEMBL29010228 | 0.79 | CTRB1 (0.42) | MEN1KMT2AP2RX4ALDH1A1L3MBTL1 | |
| SCHEMBL29010234 | 0.79 | CPB1 (0.42) | MAPTMEN1KMT2AP2RX4PPARA | |
| SCHEMBL16804931 | 0.77 | ALDH1A1 (0.49) | MEN1KMT2AP2RX4ALDH1A1L3MBTL1 |
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-114057646-B | Pyrazole derivative and application thereof in preparation of antitumor drugs | 常州大学 | 2023-05-02 | — | — | CN | disclosed |