Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.70 |
| ▸ | CA2 | P00918 | 2/20 | 0.70 |
| ▸ | CA9 | Q16790 | 1/20 | 0.70 |
| ▸ | DHFR | P00374 | 10/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL21319444 | 0.87 | CA1 (0.70) | CA1CA2CA9DHFR | |
| SCHEMBL7249380 | 0.87 | CA1 (0.60) | CA1CA2CA9DHFR | |
| SCHEMBL11634264 | 0.86 | DHFR (0.76) | CA1CA2CA9DHFR | |
| SCHEMBL24845700 | 0.86 | CA1 (0.66) | CA1CA2CA9DHFR | |
| SCHEMBL20465637 | 0.84 | CA1 (0.69) | CA1CA2CA9DHFR | |
| SCHEMBL11629272 | 0.84 | DHFR (0.69) | CA1CA2CA9DHFR | |
| SCHEMBL24845727 | 0.84 | CA1 (0.66) | CA1CA2CA9DHFR | |
| SCHEMBL14417311 | 0.83 | DHFR (0.81) | CA1CA2CA9DHFR | |
| SCHEMBL13640729 | 0.83 | CA1 (0.65) | CA1CA2CA9DHFR | |
| SCHEMBL11633634 | 0.83 | DHFR (0.78) | CA1CA2CA9DHFR |
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 |
|---|---|---|---|---|---|---|---|
| US-4079056-A | REACTING 2,4-DIAMINO-6-PTERIDINE-METHANOL-HBR WITH TRIPHENYLPHOSPHINE DIBROMIDE OR PHOSPHORUS TRIBROMIDE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) | 1978-03-14 | — | — | US | disclosed |
| US-4077957-A | INTERMEDIATE FOR METHOTREXATE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) | 1978-03-07 | — | — | US | disclosed |