Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HTR1B | P28222 | 6/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28358811 | 0.90 | KCNA3 (0.42) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL28358813 | 0.88 | NCF1 (0.42) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL28407324 | 0.85 | ALDH1A1 (0.44) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL8064322 | 0.82 | IDO1 (0.50) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL8036255 | 0.81 | HTR1B (0.41) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL19138188 | 0.81 | CNR2 (0.51) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL8916479 | 0.79 | CNR1 (0.51) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL3999003 | 0.78 | CNR1 (0.52) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL20678369 | 0.78 | CNR1 (0.52) | ALDH1A1HPGDHSD17B10CYP3A4TSHR | |
| SCHEMBL20678376 | 0.78 | CNR1 (0.52) | ALDH1A1HPGDHSD17B10CYP3A4TSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112275322-B | Preparation method and application of supported CNTs @ NHC-Cu catalytic material | 中国科学院兰州化学物理研究所 | 2022-01-25 | — | — | CN | claimed |
| CN-109810147-B | Pyrene-labeled benzimidazole nitrogen heterocyclic carbene palladium metal complex, and preparation and application thereof | 中国科学院兰州化学物理研究所 | 2021-02-26 | — | — | CN | claimed |
| CN-110790629-B | Application of chiral spirofluorene isomer in electronic component with chiral correlation function | 南京工业大学 | 2022-10-14 | — | — | CN | disclosed |
| CN-109810147-B | Pyrene-labeled benzimidazole nitrogen heterocyclic carbene palladium metal complex, and preparation and application thereof | 中国科学院兰州化学物理研究所 | 2021-02-26 | — | — | CN | disclosed |
| CN-110790629-A | Application of chiral spirofluorene isomer in electronic component with chiral correlation function | 南京工业大学 | 2020-02-14 | — | — | CN | disclosed |