Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.34 |
| ▸ | CES1 | P23141 | 4/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.30 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL1115202 | 0.78 | CES2 (0.50) | CES2CES1PARP1DPP9KEAP1 | |
| Hydrochloric Acid SCHEMBL3620524 | 0.72 | DPP4 (0.43) | CES2CES1ATMPARP1KMT2A | |
| Hydrochloric Acid SCHEMBL3620520 | 0.72 | DPP4 (0.43) | CES2CES1ATMPARP1KMT2A | |
| SCHEMBL13613341 | 0.71 | TSHR (0.37) | TDP1PARP1GRM1MEN1CYP1A2 | |
| Hydrochloric Acid SCHEMBL4563584 | 0.68 | DPP4 (0.45) | TDP1GRM1MEN1CYP1A2KMT2A | |
| SCHEMBL17347338 | 0.67 | ATM (0.65) | CES2CES1TDP1ATMALDH1A1 | |
| SCHEMBL3831033 | 0.66 | TDP1 (0.41) | TDP1ATMPARP1PDE7AKCNMA1 | |
| SCHEMBL5114349 | 0.65 | HDAC3 (0.45) | CES2CES1EPHX1KCNN4ALDH1A1 | |
| SCHEMBL5114354 | 0.65 | HDAC3 (0.45) | CES2CES1EPHX1KCNN4ALDH1A1 | |
| SCHEMBL6321555 | 0.65 | HDAC3 (0.45) | CES2CES1EPHX1KCNN4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2119703-A1 | NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE | Santen Pharmaceutical Co., Ltd (JP) | 2009-11-18 | — | — | EP | disclosed |