Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 3/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.52 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL26134675 | 0.86 | TDP1 (0.61) | ABCB1TDP1L3MBTL1CALM1GAA | |
| SCHEMBL29350108 | 0.86 | TDP1 (0.61) | ABCB1TDP1L3MBTL1CALM1GAA | |
| SCHEMBL11504779 | 0.84 | NPC1 (0.57) | TDP1L3MBTL1ALOX5CALM1KDM4E | |
| SCHEMBL28128268 | 0.81 | ABCB1 (0.54) | ABCB1TDP1L3MBTL1KDM4EMAPT | |
| SCHEMBL28166785 | 0.81 | ALOX5 (0.52) | ABCB1ALOX5GAAKDM4EMAPT | |
| SCHEMBL11399635 | 0.79 | KDM4E (0.59) | ABCB1KDM4EMAPT | |
| SCHEMBL8680676 | 0.79 | ALOX5 (0.61) | ABCB1ALOX5CALM1KDM4EMAPT | |
| SCHEMBL28301424 | 0.78 | ABCB1 (0.50) | ABCB1TDP1L3MBTL1HPGD | |
| SCHEMBL8686118 | 0.78 | TDP1 (0.56) | ABCB1TDP1L3MBTL1GAA | |
| SCHEMBL28841201 | 0.76 | MTNR1A (0.51) | ABCB1ALOX5 |
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-106431855-A | Halogen or nitrogen-containing group substituted bibenzyl analog, preparation method and uses thereof | 中国药科大学 | 2017-02-22 | — | — | CN | claimed |
| CN-106977482-A | The extracting method of chromocor compound in dendrobium candidum | 浙江黛君生物医药科技有限公司 | 2017-07-25 | — | — | CN | disclosed |