Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 11/20 | 0.42 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.41 |
| ▸ | DHFR | P00374 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7499714 | 0.83 | GART (0.54) | DHFR | |
| SCHEMBL8018583 | 0.83 | GART (0.54) | DHFR | |
| SCHEMBL7498558 | 0.83 | DHFR (0.41) | DHFR | |
| SCHEMBL7494746 | 0.82 | DHFR (0.42) | DHFR | |
| SCHEMBL7490675 | 0.81 | DHFR (0.56) | DHFR | |
| SCHEMBL8874134 | 0.81 | DHFR (0.56) | DHFR | |
| SCHEMBL8017846 | 0.80 | GART (0.40) | HCAR2DHFR | |
| SCHEMBL8017849 | 0.80 | GART (0.40) | HCAR2DHFR | |
| Hydrochloric Acid SCHEMBL8875657 | 0.80 | DHFR (0.55) | DHFR | |
| Hydrochloric Acid SCHEMBL7487428 | 0.80 | DHFR (0.55) | 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 |
|---|---|---|---|---|---|---|---|
| EP-0904271-A4 | 5,6,7,8-TETRAHYDROPYRIDO[2,3-d]PYRIMIDINES | UNIV PRINCETON (US) | 2002-01-23 | — | — | EP | disclosed |
| US-6066639-A | ANTITUMOR AGENTS | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2000-05-23 | — | — | US | disclosed |
| EP-0904271-A1 | 5,6,7,8-TETRAHYDROPYRIDO[2,3-d]PYRIMIDINES | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1999-03-31 | — | — | EP | disclosed |
| WO-1997041115-A1 | 5,6,7,8-TETRAHYDROPYRIDO[2,3-d]PYRIMIDINES | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1997-11-06 | — | — | WO | disclosed |