Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 7/20 | 0.43 |
| ▸ | TYMS | P04818 | 3/20 | 0.43 |
| ▸ | BCHE | P06276 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9844852 | 1.00 | DHFR (0.43) | DHFRTYMSBCHEACHEKDM4E | |
| SCHEMBL9844931 | 0.90 | ALDH1A1 (0.39) | KDM4EALDH1A1HPGDHSD17B10L3MBTL1 | |
| SCHEMBL9844778 | 0.86 | DHFR (0.52) | DHFRTYMS | |
| SCHEMBL9844760 | 0.85 | DHFR (0.44) | DHFRTYMSBCHEACHEKDM4E | |
| SCHEMBL9844762 | 0.85 | DHFR (0.44) | DHFRTYMSBCHEACHEKDM4E | |
| SCHEMBL9556787 | 0.80 | DRD2 (0.45) | ALDH1A1HPGDHSD17B10 | |
| SCHEMBL9844866 | 0.80 | DHFR (0.46) | DHFRTYMSKDM4EALDH1A1HPGD | |
| SCHEMBL9844864 | 0.80 | DHFR (0.46) | DHFRTYMSKDM4EALDH1A1HPGD | |
| SCHEMBL9844802 | 0.80 | AGTR1 (0.40) | KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL9844797 | 0.79 | DHFR (0.43) | DHFRTYMSKDM4EALDH1A1HPGD |
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 |