Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DCPS | Q96C86 | 3/20 | 0.59 |
| ▸ | DHFR | P00374 | 10/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL1154870 | 0.81 | DCPS (0.58) | DCPSDHFRKCNH2 | |
| SCHEMBL3340224 | 0.79 | DCPS (0.61) | DCPSDHFRKCNH2 | |
| SCHEMBL29224081 | 0.79 | DCPS (0.56) | DCPSDHFRKCNH2 | |
| SCHEMBL30912748 | 0.79 | DHFR (0.57) | DCPSDHFRKCNH2 | |
| SCHEMBL8390061 | 0.79 | DHFR (0.66) | DCPSDHFRKCNH2 | |
| SCHEMBL29740318 | 0.79 | DCPS (0.61) | DCPSDHFRKCNH2 | |
| SCHEMBL2127622 | 0.79 | DHFR (0.57) | DCPSDHFRKCNH2 | |
| SCHEMBL30912751 | 0.79 | DHFR (0.66) | DCPSDHFRKCNH2 | |
| SCHEMBL8222792 | 0.76 | DCPS (0.72) | DCPSDHFRKCNH2 | |
| SCHEMBL30482707 | 0.75 | DHFR (0.58) | DCPSDHFRKCNH2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-86100512-A | 2 of antitumor action is arranged, and 4-diamino-6-(N-methyl or formyl radical-replacement benzyl amino) quinoline derivatives is synthetic | — | 1987-09-02 | — | — | CN | claimed |
| WO-2016201219-A1 | SMALL MOLECULE INHIBITORS OF DIHYDROFOLATE REDUCTASE | CIDARA THERAPEUTICS, INC. (US) | 2016-12-15 | — | — | WO | disclosed |
| US-20160117440-A1 | SYSTEM AND METHOD FOR AUTOMATED PREDICTION OF VULNERABILITIES IN BIOLOGICAL SAMPLES | MEMORIAL SLOAN-KETTERING CANCER CENTER | 2016-04-28 | — | — | US | disclosed |
| CN-1049498-A | 2,4-diamino-5-replacement-6-(N-replaces benzyl amino) quinazoline derivant is synthetic | SHANGHAI INST PHARM INDUSTRY (CN) | 1991-02-27 | — | — | CN | disclosed |
| CN-1049498-A | 2,4-diamino-5-replacement-6-(N-replaces benzyl amino) quinazoline derivant is synthetic | SHANGHAI INST PHARM INDUSTRY (CN) | 1991-02-27 | — | — | CN | disclosed |
| EP-0253396-A2 | Process for preparing 5,6-substituted-2,4-quinazolinediamines and intermediates | WARNER-LAMBERT COMPANY (US) | 1988-01-20 | — | — | EP | disclosed |