Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 7/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 7/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18707502 | 0.83 | HDAC8 (0.39) | NPC1RAB9AALDH1A1KMT2AHTT | |
| SCHEMBL24023602 | 0.82 | ALDH1A1 (0.44) | ALDH1A1KMT2AHTTHSP90AA1GAA | |
| SCHEMBL20238711 | 0.81 | SLC6A4 (0.43) | NPC1RAB9AALDH1A1KMT2AHTT | |
| SCHEMBL25596388 | 0.79 | ADRA2A (0.37) | NPC1RAB9AALDH1A1KMT2AHTT | |
| SCHEMBL18500386 | 0.79 | MAOA (0.45) | KMT2AMEN1 | |
| SCHEMBL23134243 | 0.78 | ALDH1A1 (0.40) | NPC1RAB9AALDH1A1KMT2AHTT | |
| SCHEMBL18500444 | 0.78 | L3MBTL3 (0.39) | CYP2D6 | |
| SCHEMBL9859659 | 0.77 | KMT2A (0.46) | ALDH1A1KMT2AHTTHSP90AA1GAA | |
| SCHEMBL12844790 | 0.77 | ADRA2A (0.34) | ADRA2A | |
| SCHEMBL20785017 | 0.77 | ASIC3 (0.50) | ADRA2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114019044-B | Method for analyzing structural characteristics of carbon skeleton of water-soluble organic molecules | 中国石油大学(北京) | 2023-07-04 | — | — | CN | disclosed |
| CN-114019044-A | Method for analyzing structural characteristics of water-soluble organic molecular carbon skeleton | 中国石油大学(北京) | 2022-02-08 | — | — | CN | disclosed |