Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.69 |
| ▸ | CA2 | P00918 | 3/20 | 0.69 |
| ▸ | CA9 | Q16790 | 3/20 | 0.69 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.69 |
| ▸ | CA1 | P00915 | 2/20 | 0.69 |
| ▸ | CA3 | P07451 | 2/20 | 0.69 |
| ▸ | CA4 | P22748 | 2/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.69 |
| ▸ | GLA | P06280 | 1/20 | 0.69 |
| ▸ | MMP3 | P08254 | 1/20 | 0.48 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 9/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | BAX | Q07812 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL28750446 | 0.92 | MMP3 (0.62) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL11039645 | 0.83 | CA12 (0.85) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL27535722 | 0.83 | CA12 (0.85) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL28578312 | 0.83 | — | — | |
| Phenol SCHEMBL14953836 | 0.83 | CA12 (0.85) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL14954055 | 0.83 | CA12 (0.85) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL7750141 | 0.83 | CA12 (1.00) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL14134295 | 0.83 | — | — | |
| Phenol SCHEMBL9774120 | 0.83 | CA12 (1.00) | CA12CA2CA9CA14CA1 | |
| Phenol SCHEMBL524026 | 0.83 | CA12 (1.00) | CA12CA2CA9CA14CA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107629433-A | A kind of phone housing high heat polycarbonates composite | 安徽酷米智能科技有限公司 | 2018-01-26 | — | — | CN | claimed |
| CN-105777519-B | Bis-phenol, diamine and its preparation and application of one kind structural unit containing benzocyclobutene | 中国科学院上海有机化学研究所 | 2019-05-17 | — | — | CN | disclosed |
| CN-107629433-A | A kind of phone housing high heat polycarbonates composite | 安徽酷米智能科技有限公司 | 2018-01-26 | — | — | CN | disclosed |