Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 2/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.61 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.61 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.61 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL11743353 | 0.95 | ALDH1A1 (0.69) | ALDH1A1LMNANR1H3NR1H2HSP90AA1 | |
| SCHEMBL8777049 | 0.89 | LMNA (0.72) | ALDH1A1LMNANR1H3NR1H2HSP90AA1 | |
| SCHEMBL8777031 | 0.83 | CYP3A4 (0.69) | ALDH1A1LMNATDP1L3MBTL1 | |
| SCHEMBL15693967 | 0.83 | ALDH1A1 (0.59) | ALDH1A1LMNAL3MBTL1NR1H3NR1H2 | |
| SCHEMBL8828667 | 0.81 | ABCB1 (0.69) | ALDH1A1LMNANR1H3NR1H2 | |
| SCHEMBL17260678 | 0.81 | TDP1 (0.68) | ALDH1A1TDP1L3MBTL1NR1H3 | |
| SCHEMBL4854039 | 0.80 | NR1H3 (0.62) | ALDH1A1LMNANR1H3NR1H2 | |
| SCHEMBL29263694 | 0.80 | MAOB (0.69) | ALDH1A1TDP1L3MBTL1 | |
| SCHEMBL15693964 | 0.80 | ALDH1A1 (0.55) | ALDH1A1LMNAL3MBTL1NR1H3NR1H2 | |
| SCHEMBL8777033 | 0.79 | CYP3A4 (0.71) | ALDH1A1LMNATDP1L3MBTL1MAPK1 |
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-1996020926-A9 | SUBSTITUTED IMIDES AS TNF INHIBITORS | — | 1996-09-26 | — | — | WO | disclosed |