Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 4/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19151643 | 0.83 | LTA4H (0.41) | LTA4HALDH1A1L3MBTL1MEN1KMT2A | |
| SCHEMBL10031971 | 0.82 | BRD4 (0.42) | LTA4HALDH1A1MEN1KMT2APOLB | |
| SCHEMBL18344265 | 0.81 | ALK (0.48) | ALDH1A1BRD4SCN9A | |
| SCHEMBL364465 | 0.81 | FDPS (0.60) | ALDH1A1L3MBTL1NPC1RAB9ALMNA | |
| SCHEMBL14950422 | 0.80 | BRD4 (0.43) | LTA4HALDH1A1POLBBRD4SCN9A | |
| SCHEMBL10031677 | 0.80 | FDPS (0.46) | ALDH1A1MEN1KMT2APOLBBRD4 | |
| SCHEMBL4281747 | 0.80 | HSP90AA1 (0.56) | ALDH1A1LMNAHTTKDM4ETMEM97 | |
| SCHEMBL17612728 | 0.80 | BRD4 (0.41) | LTA4HPOLBBRD4SCN9APDK2 | |
| SCHEMBL369666 | 0.80 | NPC1 (0.47) | ALDH1A1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL370715 | 0.80 | NPC1 (0.47) | ALDH1A1MEN1KMT2ANPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-9045432-B2 | Nitrile oxide, nitrone, and nitrile imine compounds | ARKEMA FRANCE (FR) | 2015-06-02 | — | — | US | disclosed |
| US-9045432-B2 | Nitrile oxide, nitrone, and nitrile imine compounds | ARKEMA FRANCE (FR) | 2015-06-02 | — | — | US | disclosed |