Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 3/20 | 0.68 |
| ▸ | BCR | P11274 | 3/20 | 0.68 |
| ▸ | MAP3K8 | P41279 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.55 |
| ▸ | EGFR | P00533 | 6/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.51 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.51 |
| ▸ | PRKCG | P05129 | 1/20 | 0.51 |
| ▸ | PRKCB | P05771 | 1/20 | 0.51 |
| ▸ | SRC | P12931 | 1/20 | 0.51 |
| ▸ | PRKCA | P17252 | 1/20 | 0.51 |
| ▸ | PRKCH | P24723 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8805450 | 0.84 | ABL1 (0.65) | ABL1BCRMAP3K8ALDH1A1CYP1A2 | |
| SCHEMBL13771177 | 0.81 | ABL1 (1.00) | ABL1BCRALDH1A1CYP1A2TSHR | |
| SCHEMBL8318298 | 0.81 | EGFR (0.71) | ABL1BCRALDH1A1CYP1A2TSHR | |
| SCHEMBL13771534 | 0.81 | ABL1 (0.70) | ABL1BCRMAP3K8ALDH1A1CYP1A2 | |
| SCHEMBL6401511 | 0.78 | ABL1 (1.00) | ABL1BCRALDH1A1CYP1A2TSHR | |
| SCHEMBL27339285 | 0.77 | ABL1 (0.61) | ABL1BCRALDH1A1EGFRGAA | |
| SCHEMBL7855130 | 0.77 | ABL1 (0.51) | ABL1BCRMAP3K8ALDH1A1CYP1A2 | |
| SCHEMBL27337231 | 0.77 | ABL1 (0.58) | ABL1BCRALDH1A1CYP1A2TSHR | |
| SCHEMBL2232188 | 0.76 | ABL1 (0.60) | ABL1BCRALDH1A1CYP1A2TSHR | |
| SCHEMBL8318613 | 0.76 | EGFR (0.73) | MAP3K8EGFREPHA2KDREPHB4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0779888-A1 | PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM | Dr. Karl Thomae GmbH (DE) | 1997-06-25 | — | — | EP | disclosed |
| WO-1996007657-A1 | PYRIMIDO[5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM | DR. KARL THOMAE GMBH (DE) | 1996-03-14 | — | — | WO | disclosed |