Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.39 |
| ▸ | REN | P00797 | 3/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 3/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5568550 | 0.86 | KDM4E (0.37) | NCEH1RENKDM4EALDH1A1CYP1A2 | |
| SCHEMBL5568717 | 0.79 | KDM4E (0.41) | NCEH1RENKDM4EALDH1A1CYP1A2 | |
| SCHEMBL5568373 | 0.73 | AR (0.38) | KDM4EALDH1A1CYP1A2TP53AR | |
| SCHEMBL8210869 | 0.72 | NR4A1 (0.48) | KDM4EALDH1A1CYP1A2TP53AR | |
| SCHEMBL8210866 | 0.72 | NR4A1 (0.48) | KDM4EALDH1A1CYP1A2TP53AR | |
| SCHEMBL9813597 | 0.58 | NCEH1 (0.72) | NCEH1KDM4EALDH1A1HPGDHSD17B10 | |
| Trifluoroacetic Acid SCHEMBL10424902 | 0.57 | SPHK1 (0.54) | ALDH1A1CYP3A4 | |
| Phenanthrene SCHEMBL1839925 | 0.57 | HSD17B10 (0.55) | KDM4EALDH1A1TDP1HPGDHSD17B10 | |
| Trifluoroacetic Acid SCHEMBL18787174 | 0.57 | KDM4E (0.54) | KDM4EALDH1A1TDP1 | |
| Trifluoroacetic Acid SCHEMBL18787173 | 0.57 | KDM4E (0.54) | KDM4EALDH1A1TDP1 |
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-1042288-B1 | TRIPEPTIDYL PEPTIDASE INHIBITORS | INST NAT SANTE RECH MED (FR) | 2007-11-07 | — | — | EP | claimed |