Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 6/20 | 0.34 |
| ▸ | KIF11 | P52732 | 2/20 | 0.34 |
| ▸ | EPM2A | O95278 | 1/20 | 0.33 |
| ▸ | PTPRC | P08575 | 1/20 | 0.33 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | PTPRG | P23470 | 1/20 | 0.33 |
| ▸ | ACP1 | P24666 | 1/20 | 0.33 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.33 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.33 |
| ▸ | PTPN9 | P43378 | 1/20 | 0.33 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
| ▸ | PTPN13 | Q12923 | 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 | |
|---|---|---|---|---|
| SCHEMBL22622815 | 0.95 | ACACB (0.35) | AURKATPX2AKR1C2AKR1C1ACACB | |
| SCHEMBL25056671 | 0.93 | AURKA (0.41) | AURKATPX2AKR1C2AKR1C1DHODH | |
| SCHEMBL22622754 | 0.91 | ACACB (0.34) | AURKATPX2AKR1C2AKR1C1ACACB | |
| SCHEMBL22622688 | 0.91 | ACACB (0.33) | AURKATPX2AKR1C2AKR1C1ACACB | |
| SCHEMBL26383670 | 0.90 | ACACB (0.37) | ACACBKIF11EPM2APTPRCPTPN2 | |
| SCHEMBL22622831 | 0.90 | ACACB (0.37) | ACACBKIF11EPM2APTPRCPTPN2 | |
| SCHEMBL22622867 | 0.87 | ACACB (0.33) | AURKATPX2ACACBDHODHSCN5A | |
| SCHEMBL22622826 | 0.87 | ACACB (0.35) | AURKATPX2ACACBSCN5ATRPA1 | |
| SCHEMBL22622797 | 0.86 | ACACB (0.34) | AURKATPX2ACACBSCN5AKIF11 | |
| SCHEMBL22622802 | 0.86 | SCN5A (0.33) | AURKATPX2DHODHSCN5AKIF11 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230313043-A1 | OPTICAL COMPONENT | MERCK PATENT GMBH (DE) | 2023-10-05 | — | — | US | disclosed |
| US-20200347301-A1 | Isothiocyanato-tolanes | MERCK PATENT GMBH (DE) | 2020-11-05 | — | — | US | disclosed |
| EP-3733816-A1 | ISOTHIOCYANATO-TOLANES | Merck Patent GmbH (DE) | 2020-11-04 | — | — | EP | disclosed |