Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | DGKA | P23743 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | PAM | P19021 | 2/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MGAM | O43451 | 1/20 | 0.43 |
| ▸ | SI | P14410 | 1/20 | 0.43 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8851597 | 0.88 | CYP1A2 (0.47) | CYP1A2DGKAALDH1A1TSHRALOX15 | |
| SCHEMBL8851842 | 0.86 | CYP1A2 (0.55) | CYP1A2DGKAALDH1A1TSHRALOX15 | |
| SCHEMBL19066941 | 0.80 | CYP1A2 (0.70) | CYP1A2DGKAALDH1A1TSHRALOX15 | |
| SCHEMBL440349 | 0.80 | CYP1A2 (0.70) | CYP1A2DGKAALDH1A1TSHRALOX15 | |
| SCHEMBL494584 | 0.80 | CYP1A2 (0.70) | CYP1A2DGKAALDH1A1TSHRALOX15 | |
| SCHEMBL1483107 | 0.80 | CYP1A2 (0.70) | CYP1A2DGKAALDH1A1TSHRALOX15 | |
| SCHEMBL33870 | 0.80 | CYP1A2 (0.70) | CYP1A2DGKAALDH1A1TSHRALOX15 | |
| SCHEMBL495925 | 0.80 | CYP1A2 (0.70) | CYP1A2DGKAALDH1A1TSHRALOX15 | |
| SCHEMBL6055406 | 0.80 | CYP1A2 (0.70) | CYP1A2DGKAALDH1A1TSHRALOX15 | |
| Diethyl Octadecanedioate SCHEMBL496152 | 0.80 | CYP1A2 (0.70) | CYP1A2DGKAALDH1A1TSHRALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1053472-C | Oligonucleotides derived from the SOD family | HOFFMANN LA ROCHE (CH) | 2000-06-14 | — | — | CN | disclosed |
| US-5618814-A | Trisubstituted pyrimido [5,4-d] pyrimidines for modulating multi-drug resistance and pharmaceutical compositions containing these compounds | DR. KARL THOMAE GMBH (DE) | 1997-04-08 | — | — | US | disclosed |
| CN-1106405-A | Trisubstituted pyrimido [5,4-d] pyrimidines for modulating | THOMAE GMBH DR K (DE) | 1995-08-09 | — | — | CN | disclosed |
| EP-0645390-A1 | Trisubstituted pyrimido 5,4-d pyrimidines for modulating multidrug resistance, drugs containing these compounds and processes for their preparation | Dr. Karl Thomae GmbH (DE) | 1995-03-29 | — | — | EP | disclosed |