Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL23301730 | 1.00 | CES2 (0.45) | CES2CES1SMN1; SMN2LMNARAB9A | |
| SCHEMBL21379847 | 0.88 | CES2 (0.56) | CES2CES1RAB9AGAAALDH1A1 | |
| SCHEMBL4503443 | 0.85 | SMN1; SMN2 (0.43) | SMN1; SMN2LMNARAB9AGAAALDH1A1 | |
| SCHEMBL16584949 | 0.84 | RIPK1 (0.43) | SMN1; SMN2LMNARAB9AGAAALDH1A1 | |
| SCHEMBL23301921 | 0.80 | CES2 (0.50) | CES2CES1LMNAGAAALDH1A1 | |
| SCHEMBL29723941 | 0.80 | CES2 (0.50) | CES2CES1LMNAGAAALDH1A1 | |
| SCHEMBL29907852 | 0.78 | CES2 (0.42) | CES2CES1SMN1; SMN2RAB9AGAA | |
| SCHEMBL23270664 | 0.78 | CES2 (0.42) | CES2CES1SMN1; SMN2RAB9AGAA | |
| SCHEMBL11039504 | 0.78 | CES2 (0.49) | CES2CES1GAAALDH1A1RIPK1 | |
| SCHEMBL26690540 | 0.77 | CASP1 (0.41) | CES2CES1SMN1; SMN2LMNANR3C2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114630826-A | Fluorinated quinoline, quinoxaline and benzo [ b ] [1,4] oxazine derivatives as dihydroorotate dehydrogenase (DHODH) inhibitors for the treatment of cancer, autoimmune and inflammatory diseases | 詹森生物科技公司 | 2022-06-14 | — | — | CN | disclosed |