Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARG | P13631 | 13/20 | 0.40 |
| ▸ | RARB | P10826 | 12/20 | 0.40 |
| ▸ | RARA | P10276 | 10/20 | 0.40 |
| ▸ | RXRA | P19793 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9538290 | 1.00 | RARG (0.40) | RARGRARBRARARXRAALDH1A1 | |
| SCHEMBL9538047 | 0.91 | DHFR (0.43) | ALDH1A1HSD17B10HPGD | |
| SCHEMBL9538051 | 0.91 | DHFR (0.43) | ALDH1A1HSD17B10HPGD | |
| SCHEMBL9535789 | 0.84 | ALDH1A1 (0.40) | RARGRARBRARAALDH1A1HSD17B10 | |
| SCHEMBL9535793 | 0.84 | ALDH1A1 (0.40) | RARGRARBRARAALDH1A1HSD17B10 | |
| SCHEMBL9538323 | 0.83 | RARG (0.38) | RARGRARBRARARXRAALDH1A1 | |
| SCHEMBL9538316 | 0.83 | RARG (0.38) | RARGRARBRARARXRAALDH1A1 | |
| SCHEMBL9052458 | 0.77 | GART (0.44) | RARBNPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL9538226 | 0.76 | DHFR (0.37) | — | |
| SCHEMBL9538221 | 0.76 | DHFR (0.37) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0215063-B1 | PYRIDO (2,3-d )PYRIMIDIN DERIVATIVES | UNIV PRINCETON (US) | 1993-11-03 | — | — | EP | disclosed |
| US-5026851-A | Antineoplastic agents | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1991-06-25 | — | — | US | disclosed |
| US-4845216-A | ANTITUMOR AGENTS | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1989-07-04 | — | — | US | disclosed |
| EP-0215063-A4 | PYRIDO (2,3-d )PYRIMIDIN DERIVATIVES. | UNIV PRINCETON (US) | 1987-11-23 | — | — | EP | disclosed |
| US-4684653-A | ANTITUMOR AGENTS | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1987-08-04 | — | — | US | disclosed |
| EP-0215063-A1 | PYRIDO (2,3-d )PYRIMIDIN DERIVATIVES. | UNIV PRINCETON (US) | 1987-03-25 | — | — | EP | disclosed |
| WO-1986005181-A1 | PYRIDO AD2,3-d BDPYRIMIDIN DERIVATIVES | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1986-09-12 | — | — | WO | disclosed |