Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | CASR | P41180 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL26701072 | 0.83 | GABRA1 (0.45) | ACHETSHRGABRA1GABRB2HSD11B1 | |
| SCHEMBL11623026 | 0.79 | ACHE (0.47) | ACHETSHRGABRA1GABRB2HSD11B1 | |
| SCHEMBL29656610 | 0.79 | TSHR (0.47) | ACHETSHRGABRA1GABRB2HSD11B1 | |
| SCHEMBL169124 | 0.79 | TSHR (0.47) | ACHETSHRGABRA1GABRB2HSD11B1 | |
| SCHEMBL25951815 | 0.79 | ACHE (0.47) | ACHETSHRGABRA1GABRB2HSD11B1 | |
| SCHEMBL22592568 | 0.78 | P2RX7 (0.38) | ACHETSHRGABRA1GABRB2HSD11B1 | |
| Ammonia Solution, Strong SCHEMBL1870627 | 0.77 | HSD11B1 (0.45) | ACHETSHRGABRA1GABRB2HSD11B1 | |
| SCHEMBL19154005 | 0.77 | ACHE (0.45) | ACHETSHRGABRA1GABRB2HSD11B1 | |
| SCHEMBL10034988 | 0.77 | ACHE (0.45) | ACHETSHRGABRA1GABRB2HSD11B1 | |
| SCHEMBL13322368 | 0.77 | TSHR (0.45) | ACHETSHRGABRA1GABRB2ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2393812-B1 | SUBSTITUTED SPIROAMIDES AS B1R-MODULATORS | GRUENENTHAL GMBH (DE) | 2013-07-03 | — | — | EP | disclosed |