Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 6/20 | 0.75 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.75 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | PPARG | P37231 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 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 | |
|---|---|---|---|---|
| SCHEMBL8061749 | 0.90 | DHODH (0.76) | DHODHTRPM8TRPA1KDM4EMEN1 | |
| SCHEMBL8061752 | 0.90 | DHODH (0.76) | DHODHTRPM8TRPA1KDM4EMEN1 | |
| SCHEMBL8061608 | 0.88 | DHODH (0.82) | DHODHTRPM8TRPA1KDM4EMEN1 | |
| SCHEMBL8061602 | 0.88 | DHODH (0.82) | DHODHTRPM8TRPA1KDM4EMEN1 | |
| SCHEMBL8065731 | 0.86 | DHODH (1.00) | DHODHTRPM8TRPA1KDM4EKMT2A | |
| SCHEMBL8065734 | 0.86 | DHODH (1.00) | DHODHTRPM8TRPA1KDM4EKMT2A | |
| SCHEMBL8048243 | 0.85 | DHODH (0.71) | DHODHTRPM8TRPA1KDM4EMEN1 | |
| SCHEMBL8048240 | 0.85 | DHODH (0.71) | DHODHTRPM8TRPA1KDM4EMEN1 | |
| SCHEMBL21470162 | 0.83 | DHODH (0.68) | DHODHTRPM8TRPA1KDM4EMEN1 | |
| SCHEMBL8059610 | 0.82 | DHODH (0.71) | DHODHTRPM8TRPA1KDM4ENPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019196714-A1 | N-SUBSTITUTED ACRYLAMIDE DERIVATIVE AS DHODH INHIBITOR, AND PREPARATION AND USE THEREOF | 华东理工大学 | 2019-10-17 | — | — | WO | disclosed |