Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.65 |
| ▸ | CA1 | P00915 | 4/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | POLA1 | P09884 | 1/20 | 0.45 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.45 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | PAM | P19021 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | DGKA | P23743 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2352097 | 0.97 | CA2 (0.59) | CA2MAPK1CA1LMNAPOLB | |
| SCHEMBL5980014 | 0.90 | CA2 (0.53) | CA2MAPK1CA1LMNATSHR | |
| Methane SCHEMBL17704112 | 0.89 | GRIK1 (0.50) | CA2MAPK1LMNAPOLBPOLA1 | |
| Methane SCHEMBL17704114 | 0.89 | GRIK1 (0.50) | CA2MAPK1LMNAPOLBPOLA1 | |
| Methane SCHEMBL14817241 | 0.89 | GRIK1 (0.50) | CA2MAPK1LMNAPOLBPOLA1 | |
| SCHEMBL27567072 | 0.88 | CA2 (0.55) | CA2MAPK1CA1TSHRGRIK1 | |
| SCHEMBL28378474 | 0.88 | CA2 (0.59) | CA2MAPK1CA1LMNATSHR | |
| SCHEMBL27668284 | 0.86 | CA2 (0.57) | CA2MAPK1CA1TSHRGRIK1 | |
| 2-Ethylhexanoic Acid SCHEMBL29942001 | 0.86 | CA2 (0.62) | CA2MAPK1CA1LMNATSHR | |
| 2-Ethylhexanoic Acid SCHEMBL26966117 | 0.84 | CA2 (0.61) | CA2MAPK1CA1LMNATSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103910738-B | A kind of Bisbenzylisoquinolincompounds quaternary ammonium salt and preparation method thereof and the application in preparing antitumor drug | 山东师范大学 | 2016-07-06 | — | — | CN | claimed |