Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 4/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.33 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16058080 | 0.84 | ALOX5 (0.42) | ALOX5MAOBTAAR1NOTUMESR2 | |
| SCHEMBL5121595 | 0.82 | NOTUM (0.33) | NOTUMESR2 | |
| SCHEMBL9067362 | 0.82 | ALOX5 (0.43) | ALOX5MAOBTAAR1NOTUMESR2 | |
| SCHEMBL6189267 | 0.82 | CYP1A2 (0.33) | — | |
| SCHEMBL10413690 | 0.81 | ALOX5 (0.42) | ALOX5MAOBTAAR1NOTUMESR2 | |
| SCHEMBL9646840 | 0.80 | TRPV3 (0.37) | ALOX5MAOBTAAR1ESR2TP53 | |
| SCHEMBL6391148 | 0.77 | — | — | |
| SCHEMBL9649083 | 0.76 | ALOX5 (0.38) | ALOX5TAAR1ESR2TP53IDO1 | |
| SCHEMBL9436695 | 0.75 | METAP2 (0.30) | — | |
| SCHEMBL8325384 | 0.74 | NPC1 (0.32) | MAOBNPC1TP53TSHRRAB9A |
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-0888351-A1 | PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION | Dr. Karl Thomae GmbH (DE) | 1999-01-07 | — | — | EP | claimed |
| WO-1997032880-A1 | PYRIMIDO[5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION | DR. KARL THOMAE GMBH (DE) | 1997-09-12 | — | — | WO | claimed |
| EP-0888351-A1 | PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION | Dr. Karl Thomae GmbH (DE) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997032880-A1 | PYRIMIDO[5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION | DR. KARL THOMAE GMBH (DE) | 1997-09-12 | — | — | WO | disclosed |