Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28323092 | 0.84 | CA1 (0.40) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL9125710 | 0.78 | KDM4E (0.33) | ALDH1A1KDM4EPOLBCTDSP1TDP1 | |
| SCHEMBL20560578 | 0.76 | CA12 (0.33) | CA12CA1CA2CA9 | |
| SCHEMBL4610474 | 0.74 | GAA (0.45) | ALDH1A1HSD17B10CA12CA1CA2 | |
| SCHEMBL9725076 | 0.73 | MAPT (0.42) | ALDH1A1KDM4ETDP1MEN1KMT2A | |
| SCHEMBL1200400 | 0.71 | VCP (0.40) | ALDH1A1TDP1 | |
| SCHEMBL18274954 | 0.71 | VCP (0.40) | ALDH1A1TDP1 | |
| SCHEMBL20560232 | 0.70 | — | — | |
| SCHEMBL9641520 | 0.69 | VCP (0.39) | ALDH1A1TDP1 | |
| SCHEMBL6232592 | 0.69 | VCP (0.39) | ALDH1A1TDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110218164-B | Energetic material 1, 3-bis (3,4, 5-trifluoro-2, 6-dinitrophenyl) urea and preparation method and application thereof | 信阳师范学院 | 2021-10-01 | — | — | CN | claimed |
| CN-110218164-B | Energetic material 1, 3-bis (3,4, 5-trifluoro-2, 6-dinitrophenyl) urea and preparation method and application thereof | 信阳师范学院 | 2021-10-01 | — | — | CN | disclosed |
| CN-110218164-B | Energetic material 1, 3-bis (3,4, 5-trifluoro-2, 6-dinitrophenyl) urea and preparation method and application thereof | 信阳师范学院 | 2021-10-01 | — | — | CN | disclosed |
| CN-110218164-B | Energetic material 1, 3-bis (3,4, 5-trifluoro-2, 6-dinitrophenyl) urea and preparation method and application thereof | 信阳师范学院 | 2021-10-01 | — | — | CN | disclosed |