Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | NSD2 | O96028 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| Ether SCHEMBL1679520 | 0.87 | CYP3A4 (0.60) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL21057058 | 0.87 | CYP3A4 (0.60) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Ether SCHEMBL17061168 | 0.85 | CYP3A4 (0.57) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Ethyl Chloride SCHEMBL2149959 | 0.82 | CYP3A4 (0.67) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL484365 | 0.80 | CYP3A4 (0.57) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Phosphine SCHEMBL9631269 | 0.78 | CYP3A4 (0.55) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL29024165 | 0.78 | CYP3A4 (0.60) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL27869355 | 0.78 | CYP3A4 (0.60) | TDP1CYP3A4ESR1ESR2KDM4E | |
| SCHEMBL27745065 | 0.78 | CYP3A4 (0.48) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Phenol SCHEMBL27764099 | 0.77 | CA12 (0.48) | TDP1CYP3A4ESR1ESR2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005025554-A2 | DIPEPTIDYL PEPTIDASE IV INHIBITOR | JAPAN TOBACCO INC. (JP) | 2005-03-24 | — | — | WO | disclosed |