Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 7/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | TYMS | P04818 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10379292 | 0.93 | DHFR (0.49) | DHFRKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL10379119 | 0.92 | DHFR (0.49) | DHFRKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL10378274 | 0.90 | DHFR (0.48) | DHFRKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL10379170 | 0.86 | DHFR (0.45) | DHFRKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL10379275 | 0.86 | DHFR (0.45) | DHFRKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL12692389 | 0.86 | DHFR (0.55) | DHFR | |
| SCHEMBL10378171 | 0.86 | DHFR (0.44) | DHFRKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL10378082 | 0.85 | DHFR (0.59) | DHFRTYMS | |
| SCHEMBL10378079 | 0.85 | DHFR (0.59) | DHFRTYMS | |
| SCHEMBL14027296 | 0.82 | DHFR (0.55) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0377031-A1 | 5-DEAZA-5,7-DISUBSTITUTED-AMINOPTERIN ANALOGUES | Sloan-Kettering Institute For Cancer Research (US) | 1990-07-11 | — | — | EP | claimed |
| WO-1990000172-A1 | 5-DEAZA-5,7-DISUBSTITUTED-AMINOPTERIN ANALOGUES | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1990-01-11 | — | — | WO | claimed |