Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.37 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28419506 | 0.98 | HCAR2 (0.39) | HCAR2CXCR2CXCR1KMT2AALDH1A1 | |
| SCHEMBL13829003 | 0.98 | HCAR2 (0.39) | HCAR2CXCR2CXCR1KMT2AALDH1A1 | |
| SCHEMBL13829065 | 0.84 | CXCR2 (0.39) | CXCR2CXCR1KMT2AALDH1A1NPSR1 | |
| SCHEMBL8258576 | 0.84 | CXCR2 (0.39) | CXCR2CXCR1KMT2AALDH1A1NPSR1 | |
| Ammonia Solution, Strong SCHEMBL29119872 | 0.81 | IDO1 (0.39) | KMT2AALDH1A1MAPTNPSR1LMNA | |
| Ammonia Solution, Strong SCHEMBL28721962 | 0.79 | ALDH1A1 (0.35) | CXCR2CXCR1KMT2AALDH1A1MAPT | |
| Ammonia Solution, Strong SCHEMBL29119863 | 0.79 | L3MBTL1 (0.36) | CXCR2CXCR1KMT2AALDH1A1MAPT | |
| Ammonia Solution, Strong SCHEMBL29119869 | 0.79 | KMT2A (0.34) | CXCR2CXCR1KMT2AALDH1A1MAPT | |
| SCHEMBL29856072 | 0.79 | IDO1 (0.40) | KMT2AALDH1A1MAPTNPSR1MAPK1 | |
| Ammonia Solution, Strong SCHEMBL28724323 | 0.78 | ALDH1A1 (0.34) | CXCR2KMT2AALDH1A1MAPTNPSR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115724884-A | Synthesis method of benzylphosphine oxide compound | 海南大学 | 2023-03-03 | — | — | CN | disclosed |
| CN-114195610-A | Synthetic method of E-type internal olefin compound | 海南大学 | 2022-03-18 | — | — | CN | disclosed |
| CN-110683975-B | Synthesis method of dialkyl amino alkyl dithioformate | 成都理工大学 | 2021-04-09 | — | — | CN | disclosed |
| CN-110683975-A | Synthesis method of dialkyl amino alkyl dithioformate | 成都理工大学 | 2020-01-14 | — | — | CN | disclosed |