Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR8 | P51685 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | F10 | P00742 | 1/20 | 0.48 |
| ▸ | FAAH | O00519 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 2/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | MMP7 | P09237 | 1/20 | 0.47 |
| ▸ | MMP10 | P09238 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL28116468 | 0.93 | CCR8 (0.51) | CCR8KDM4EALDH1A1LMNAGAA | |
| SCHEMBL17048430 | 0.87 | CCR8 (0.66) | CCR8KDM4EALDH1A1LMNAGAA | |
| SCHEMBL892946 | 0.84 | HDAC1 (0.51) | ALDH1A1GAAMEN1KMT2APOLB | |
| SCHEMBL27491805 | 0.84 | HDAC1 (0.51) | ALDH1A1GAAMEN1KMT2APOLB | |
| SCHEMBL4349231 | 0.83 | KMT2A (0.53) | CCR8KDM4EALDH1A1LMNAGAA | |
| SCHEMBL17099382 | 0.82 | KDM4E (0.50) | CCR8KDM4EALDH1A1LMNAGAA | |
| SCHEMBL17048461 | 0.80 | CCR8 (0.63) | CCR8KDM4EALDH1A1LMNAMEN1 | |
| SCHEMBL28961034 | 0.78 | KMT2A (0.53) | KDM4EALDH1A1MEN1KMT2APOLB | |
| SCHEMBL4349232 | 0.77 | MEN1 (0.51) | CCR8KDM4EALDH1A1LMNAGAA | |
| SCHEMBL5369178 | 0.76 | L3MBTL1 (0.49) | ALDH1A1GAAMEN1KMT2APOLB |
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-106255679-B | As NAThe heterocyclic compound and application thereof of V channel inhibitor | 默克专利有限公司 | 2019-09-06 | — | — | CN | disclosed |
| CN-106255679-A | As Naheterocyclic compound of V channel inhibitor and application thereof | 默克专利有限公司 | 2016-12-21 | — | — | CN | disclosed |