Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 4/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | TNF | P01375 | 1/20 | 0.30 |
| ▸ | CYP11B1 | P15538 | 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 | |
|---|---|---|---|---|
| SCHEMBL4899294 | 0.82 | CYP3A4 (0.45) | CYP3A4TDP1ESR1ESR2ALDH1A1 | |
| SCHEMBL2154391 | 0.78 | CYP3A4 (0.41) | CYP3A4TDP1ESR1ESR2TSHR | |
| SCHEMBL8029797 | 0.78 | CYP3A4 (0.41) | CYP3A4TDP1ESR1ESR2TSHR | |
| SCHEMBL15286066 | 0.76 | CYP3A4 (0.39) | CYP3A4TDP1ALDH1A1TSHRHPGD | |
| SCHEMBL9619418 | 0.74 | CYP3A4 (0.38) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL25210883 | 0.72 | CYP3A4 (0.36) | CYP3A4TDP1ALDH1A1TSHR | |
| SCHEMBL1456673 | 0.72 | TDP1 (0.36) | CYP3A4TDP1ESR1ESR2TSHR | |
| SCHEMBL2154349 | 0.72 | CYP3A4 (0.36) | CYP3A4TDP1ESR1ESR2LMNA | |
| SCHEMBL22114034 | 0.72 | CYP3A4 (0.36) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL230096 | 0.71 | TDP1 (0.53) | CYP3A4TDP1ESR1ESR2ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0115945-B1 | SYNTHESIS OF HIGH MOLECULAR WEIGHT POLYBENZIMIDAZOLES | CELANESE CORPORATION (US) | 1988-11-30 | — | — | EP | disclosed |
| US-4535144-A | AMINOARYL ESTER REACTANT, TWO-STAGE MELT POLYMERIZATION | CELANESE CORPORATION (US) | 1985-08-13 | — | — | US | disclosed |
| US-4533725-A | BY-PRODUCT INHIBITION; HEATING A FOAMED PREPOLYMER | DELANESE CORPORATION (US) | 1985-08-06 | — | — | US | disclosed |
| EP-0115945-A2 | Synthesis of high molecular weight polybenzimidazoles | CELANESE CORPORATION (US) | 1984-08-15 | — | — | EP | disclosed |