Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | GART | P22102 | 1/20 | 0.38 |
| ▸ | TYMS | P04818 | 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 | |
|---|---|---|---|---|
| SCHEMBL9844812 | 1.00 | DHFR (0.42) | DHFRKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL9844782 | 0.95 | KDM4E (0.43) | DHFRKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL9844784 | 0.95 | KDM4E (0.43) | DHFRKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL9844814 | 0.86 | DHFR (0.52) | DHFRGARTTYMS | |
| SCHEMBL8997156 | 0.85 | DHFR (0.44) | DHFRKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL8997164 | 0.85 | DHFR (0.44) | DHFRKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL9844885 | 0.81 | ATIC (0.51) | DHFRGARTTYMS | |
| SCHEMBL9844754 | 0.81 | ATIC (0.51) | DHFRGARTTYMS | |
| SCHEMBL8997175 | 0.80 | ATIC (0.47) | DHFRKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL8997167 | 0.80 | ATIC (0.47) | DHFRKDM4EALDH1A1HPGDHSD17B10 |
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 | claimed |