Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6119419 | 0.87 | XDH (0.45) | XDHCYP46A1GAAPOLBMAPT | |
| SCHEMBL28601825 | 0.81 | XDH (0.41) | XDHCYP46A1GAAPOLBMAPT | |
| SCHEMBL6120101 | 0.81 | NOTUM (0.49) | XDHCYP46A1NOTUMGAAPOLB | |
| SCHEMBL6119252 | 0.80 | SOS1 (0.42) | XDHCYP46A1GAAPOLBMAPT | |
| SCHEMBL23699460 | 0.79 | KDM4E (0.46) | NOTUMMAPTALDH1A1 | |
| SCHEMBL6118711 | 0.79 | GAA (0.42) | XDHCYP46A1GAAPOLBMAPT | |
| SCHEMBL25612469 | 0.79 | KDM4E (0.47) | XDHCYP46A1GAAPOLBMAPT | |
| SCHEMBL26596782 | 0.74 | CYP46A1 (0.47) | CYP46A1GAAPOLBMAPTNR4A2 | |
| SCHEMBL804379 | 0.74 | NR4A2 (0.50) | CYP46A1GAAMAPTNR4A2TDP1 | |
| SCHEMBL20903073 | 0.74 | XDH (0.49) | XDHCYP46A1GAAPOLBMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1812420-A1 | TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS | Nicholas Piramal India Limited (IN) | 2007-08-01 | — | — | EP | disclosed |
| WO-2006051476-A1 | TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS | NICHOLAS PIRAMAL INDIA LIMITED (IN) | 2006-05-18 | — | — | WO | disclosed |