Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | MEN1 | O00255 | 4/20 | 0.59 |
| ▸ | THRB | P10828 | 4/20 | 0.59 |
| ▸ | HPGD | P15428 | 4/20 | 0.59 |
| ▸ | RECQL | P46063 | 4/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | BLM | P54132 | 3/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.59 |
| ▸ | APP | P05067 | 3/20 | 0.59 |
| ▸ | TP53 | P04637 | 2/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.59 |
| ▸ | BRCA1 | P38398 | 2/20 | 0.59 |
| ▸ | SNCA | P37840 | 2/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL12534472 | 0.96 | CYP1A2 (0.62) | CYP1A2MEN1THRBHPGDRECQL | |
| SCHEMBL14506103 | 0.90 | MEN1 (0.76) | CYP1A2MEN1THRBHPGDRECQL | |
| SCHEMBL13330337 | 0.88 | MEN1 (0.79) | CYP1A2MEN1THRBHPGDRECQL | |
| SCHEMBL14148445 | 0.87 | CYP1A2 (0.84) | CYP1A2MEN1THRBHPGDRECQL | |
| SCHEMBL13498718 | 0.86 | MEN1 (0.74) | CYP1A2MEN1THRBHPGDRECQL | |
| SCHEMBL19131891 | 0.78 | CYP1A2 (0.72) | CYP1A2MEN1THRBHPGDRECQL | |
| SCHEMBL9640486 | 0.78 | CYP1A2 (0.80) | CYP1A2MEN1THRBHPGDRECQL | |
| SCHEMBL13086766 | 0.75 | APP (0.73) | CYP1A2MEN1THRBHPGDRECQL | |
| SCHEMBL12534464 | 0.75 | APP (0.73) | CYP1A2MEN1THRBHPGDRECQL | |
| Evans Blue Free Acid SCHEMBL16572423 | 0.75 | MEN1 (1.00) | CYP1A2MEN1THRBHPGDRECQL |
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 |
|---|---|---|---|---|---|---|---|
| US-8766238-B2 | Polymeric anions/cations | MERCK PATENT GMBH (DE) | 2014-07-01 | — | — | US | disclosed |
| US-20100059740-A1 | POLYMERIC ANIONS/CATIONS | MERCK PATENT GMBH (DE) | 2010-03-11 | — | — | US | disclosed |