Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 7/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9314977 | 0.78 | DHFR (0.44) | DHFR | |
| SCHEMBL24344752 | 0.77 | DHFR (0.65) | DHFRCA1CA2 | |
| SCHEMBL9547730 | 0.76 | DHFR (0.44) | DHFRCA1CA2 | |
| SCHEMBL9849782 | 0.75 | FOLR1 (0.41) | DHFR | |
| SCHEMBL9270629 | 0.74 | FGFR3 (0.38) | — | |
| SCHEMBL9547679 | 0.74 | DHFR (0.51) | DHFRCA1CA2 | |
| SCHEMBL24344201 | 0.71 | DHFR (0.61) | DHFRCA1CA2 | |
| SCHEMBL3434673 | 0.71 | DHFR (0.65) | DHFRCA1CA2 | |
| SCHEMBL9314221 | 0.71 | DHFR (0.47) | DHFR | |
| SCHEMBL9849759 | 0.71 | FOLR1 (0.44) | DHFR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5536724-A | Antiinflammatory and antineoplastic 5-deazaaminopterins and 5,10-dideazaaminopterins | SRI INTERNATIONAL (US) | 1996-07-16 | — | — | US | disclosed |
| US-5374726-A | Coupling substituted diester with 6-methylene halide of selected deazaaminopterin, hydrolyzing ester groups, removing carboxylic acid attached to alpha carbon | DEGRAW JOSEPH I (US) | 1994-12-20 | — | — | US | disclosed |
| US-5354751-A | Antiinflammatory agents, leukemia | SRI INTERNATIONAL (US) | 1994-10-11 | — | — | US | disclosed |
| WO-1993022315-A1 | HETEROAROYL-10-DEAZAAMINOPTERINS FOR TREATMENT OF INFLAMMATION | SRI INTERNATIONAL (US) | 1993-11-11 | — | — | WO | disclosed |