Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CKS1B | P61024 | 1/20 | 0.44 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CCR6 | P51684 | 1/20 | 0.42 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.42 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9844887 | 0.78 | CYP3A4 (0.44) | TP53CYP3A4CYP2C9ALDH1A1CYP1A2 | |
| SCHEMBL9844981 | 0.76 | EGFR (0.46) | TP53CYP3A4CYP2C9ALDH1A1CYP1A2 | |
| SCHEMBL9050614 | 0.76 | TP53 (0.44) | TP53CYP3A4CYP2C9ALDH1A1CYP1A2 | |
| SCHEMBL9844803 | 0.76 | TP53 (0.46) | TP53CYP3A4CYP2C9ALDH1A1CYP1A2 | |
| SCHEMBL9051507 | 0.72 | CYP4A11 (0.46) | TP53CYP3A4CYP2C9ALDH1A1CYP1A2 | |
| SCHEMBL9339199 | 0.71 | DHFR (0.54) | TP53CYP3A4CYP2C9ALDH1A1CYP1A2 | |
| SCHEMBL9339245 | 0.71 | CYP4A11 (0.55) | TP53CYP3A4CYP2C9ALDH1A1CYP1A2 | |
| SCHEMBL9889382 | 0.71 | DHFR (0.60) | TLR8TLR7DHFR | |
| SCHEMBL70185 | 0.70 | CYP4A11 (0.75) | TP53CYP3A4CYP2C9ALDH1A1CYP1A2 | |
| SCHEMBL9341073 | 0.70 | CYP4A11 (0.53) | TP53CYP3A4CYP2C9ALDH1A1CYP1A2 |
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-0438261-A2 | Condensed heterocyclic glutamic acid derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1991-07-24 | — | — | EP | disclosed |