Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.49 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CKS1B | P61024 | 1/20 | 0.41 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CCR6 | P51684 | 1/20 | 0.40 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8982456 | 0.88 | CYP4A11 (0.48) | CYP4A11CYP4F2ALDH1A1TP53CYP1A2 | |
| SCHEMBL9047680 | 0.81 | DHFR (0.45) | CYP1A2CYP3A4LMNADHFRTYMS | |
| SCHEMBL14329878 | 0.81 | DHFR (0.51) | CYP4A11CYP4F2ALDH1A1TP53CYP1A2 | |
| SCHEMBL9085311 | 0.80 | NAMPT (0.53) | CYP4A11CYP4F2DHFRTYMS | |
| SCHEMBL8982532 | 0.78 | CYP4A11 (0.45) | CYP4A11CYP4F2ALDH1A1TP53CYP1A2 | |
| SCHEMBL8982447 | 0.76 | CYP4A11 (0.48) | CYP4A11CYP4F2ALDH1A1TP53CYP1A2 | |
| SCHEMBL9045691 | 0.76 | TYMS (0.48) | DHFRTYMS | |
| SCHEMBL9044792 | 0.74 | TYMS (0.51) | CYP1A2CYP3A4HPGDCCR6HKDC1 | |
| SCHEMBL9044536 | 0.73 | NAMPT (0.51) | CYP1A2CYP3A4LMNADHFRTYMS | |
| SCHEMBL8855177 | 0.71 | TYMS (0.61) | DHFRTYMS |
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 |