Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11099963 | 0.84 | BRD4 (0.39) | BRD4CREBBPALDH1A1KDM1AAKT1 | |
| SCHEMBL11805299 | 0.84 | BRD4 (0.41) | BRD4CREBBPALDH1A1KDM1ACYP1A2 | |
| SCHEMBL6548141 | 0.84 | BRD4 (0.41) | BRD4CREBBPALDH1A1KDM1ACYP1A2 | |
| SCHEMBL9366890 | 0.81 | BRD4 (0.38) | BRD4CREBBPALDH1A1KDM1AAKT1 | |
| SCHEMBL6547045 | 0.78 | LMNA (0.40) | BRD4CREBBPALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6427634 | 0.78 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP3A4ESR2TSHR | |
| SCHEMBL25622621 | 0.77 | TSHR (0.45) | BRD4CREBBPALDH1A1KDM1ACYP1A2 | |
| SCHEMBL842429 | 0.77 | TSHR (0.45) | BRD4CREBBPALDH1A1KDM1ACYP1A2 | |
| SCHEMBL28274189 | 0.76 | TRPA1 (0.34) | ALDH1A1AKT1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7622467 | 0.75 | ESR1 (0.37) | BRD4CREBBPALDH1A1KDM1AAKT1 |
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-2411449-A1 | IMPRINTED BIOMIMETIC CATALYSTS FOR CELLULOSE HYDROLYSIS | The Trustees Of The University Of Pennsylvania (US) | 2012-02-01 | — | — | EP | disclosed |