Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.66 |
| ▸ | CA2 | P00918 | 3/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 2/20 | 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 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.37 |
| ▸ | MGLL | Q99685 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30959845 | 0.91 | CA1 (0.62) | CA1CA2CYP1A2ERBB2FYN | |
| SCHEMBL12144584 | 0.89 | CA1 (0.59) | CA1CA2CYP1A2ERBB2FYN | |
| SCHEMBL30959842 | 0.89 | CA1 (0.59) | CA1CA2CYP1A2ERBB2FYN | |
| SCHEMBL29952033 | 0.87 | CA1 (0.86) | CA1CA2CYP1A2HSD17B10ALDH1A1 | |
| SCHEMBL21352794 | 0.87 | CA1 (0.86) | CA1CA2CYP1A2HSD17B10ALDH1A1 | |
| SCHEMBL1153498 | 0.87 | CA1 (0.86) | CA1CA2CYP1A2HSD17B10ALDH1A1 | |
| SCHEMBL8781477 | 0.86 | CA1 (0.66) | CA1CA2CYP1A2ERBB2FYN | |
| SCHEMBL2478286 | 0.81 | CA1 (0.54) | CA1CA2CYP1A2ERBB2FYN | |
| SCHEMBL29955961 | 0.81 | CA1 (0.69) | CA1CA2CYP1A2ERBB2FYN | |
| SCHEMBL29868851 | 0.81 | CA1 (0.69) | CA1CA2CYP1A2ERBB2FYN |
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-112300174-B | Novel electron transport material and application thereof in OLED device | 北京燕化集联光电技术有限公司 | 2021-11-09 | — | — | CN | disclosed |
| CN-112300174-A | Novel electron transport material and application thereof in OLED device | 北京燕化集联光电技术有限公司 | 2021-02-02 | — | — | CN | disclosed |