Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.57 |
| ▸ | CA1 | P00915 | 4/20 | 0.57 |
| ▸ | CA2 | P00918 | 4/20 | 0.57 |
| ▸ | CA9 | Q16790 | 4/20 | 0.57 |
| ▸ | CA7 | P43166 | 3/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.53 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.52 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.50 |
| ▸ | EGFR | P00533 | 3/20 | 0.49 |
| ▸ | LCK | P06239 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | RGS12 | O14924 | 1/20 | 0.46 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.46 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.46 |
| ▸ | GABRP | O00591 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL39010 | 1.00 | CA12 (0.57) | CA12CA1CA2CA9CA7 | |
| SCHEMBL3873135 | 0.98 | CA12 (0.55) | CA12CA1CA2CA9CA7 | |
| SCHEMBL27517848 | 0.98 | CA12 (0.55) | CA12CA1CA2CA9CA7 | |
| SCHEMBL27658957 | 0.98 | CA12 (0.55) | CA12CA1CA2CA9CA7 | |
| Alcohol SCHEMBL28172459 | 0.96 | ALDH1A1 (0.53) | CA12CA1CA2CA9CA7 | |
| Hexane SCHEMBL5075566 | 0.93 | HTT (0.54) | CA12CA1CA2CA9CA7 | |
| Nitrous Acid SCHEMBL6129844 | 0.91 | CA12 (0.48) | CA12CA1CA2CA9CA7 | |
| Paraben SCHEMBL9350084 | 0.91 | CA12 (0.55) | CA12CA1CA2CA9CA7 | |
| SCHEMBL7261271 | 0.91 | CA12 (0.48) | CA12CA1CA2CA9CA7 | |
| P-Cresol SCHEMBL28027749 | 0.91 | HSD17B1 (0.50) | CA12CA1CA2CA9CA7 |
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-104306764-B | A kind of Chinese medicine compound prescription spray for being used to control rhinitis | 昆明理工大学 | 2017-12-22 | — | — | CN | disclosed |
| CN-106543442-A | A kind of polysiloxanes side chain liquid crystalline polymer with cholesteric phase and smectic phase and preparation method thereof | 北京大学 | 2017-03-29 | — | — | CN | disclosed |