Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 4/20 | 0.40 |
| ▸ | CES1 | P23141 | 3/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31429063 | 0.89 | KIF11 (0.46) | KIF11CES2CES1CHRM1CHRM4 | |
| SCHEMBL27561769 | 0.83 | CES2 (0.43) | KIF11CES2CES1GAAHTT | |
| SCHEMBL28846040 | 0.80 | CYP2C9 (0.46) | KIF11DRD2DRD3GAAHDAC3 | |
| SCHEMBL9704438 | 0.78 | GAA (0.51) | KIF11CES2CES1CHRM1CHRM4 | |
| SCHEMBL27914577 | 0.78 | CYP2C19 (0.41) | KIF11CHRM1CHRM4CHRM5DRD2 | |
| SCHEMBL1131428 | 0.76 | ALDH1A1 (0.49) | KIF11CES2CES1DRD2OPRM1 | |
| SCHEMBL28332226 | 0.76 | KIF11 (0.47) | KIF11CES2CES1DRD2OPRM1 | |
| SCHEMBL3927998 | 0.76 | ALDH1A1 (0.52) | KIF11CES2CES1DRD2OPRM1 | |
| SCHEMBL4757411 | 0.75 | KMT2A (0.48) | KIF11CHRM1CHRM4CHRM5DRD2 | |
| SCHEMBL27456895 | 0.75 | KIF11 (0.46) | KIF11CES2CES1DRD2OPRM1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4064132-A | ANTIINFLAMMATORY AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 1977-12-20 | — | — | US | disclosed |
| US-4060528-A | ANTIINFLAMMATORY | JANSSEN PHARMACEUTICA N.V. (BE) | 1977-11-29 | — | — | US | disclosed |
| US-4035376-A | ESTERS, AMIDES, HYDROXAMIC ACIDS, ANTIINFLAMMATORY | JANSSEN PHARMACEUTICA N.V. (BE) | 1977-07-12 | — | — | US | disclosed |