Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | MGAM | O43451 | 1/20 | 0.46 |
| ▸ | SI | P14410 | 1/20 | 0.46 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | DGKA | P23743 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PAM | P19021 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8851007 | 0.88 | CYP1A2 (0.53) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL9232550 | 0.85 | DGKA (0.50) | ALDH1A1DGKATSHRPAML3MBTL1 | |
| SCHEMBL2969974 | 0.84 | CYP1A2 (0.48) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL9203572 | 0.81 | GAA (0.55) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL8851974 | 0.80 | GAA (0.48) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL3343206 | 0.79 | — | — | |
| SCHEMBL12343815 | 0.77 | — | — | |
| SCHEMBL3893364 | 0.77 | — | — | |
| SCHEMBL10901590 | 0.76 | ALDH1A1 (0.60) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL17449766 | 0.76 | — | — |
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 |