Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 6/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | PTGFR | P43088 | 3/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | TACR2 | P21452 | 2/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6528864 | 0.78 | TRPV4 (0.55) | TACR3KCNH2OPRK1TACR2 | |
| SCHEMBL6533888 | 0.68 | TRPV4 (0.54) | TACR3KCNH2TACR2 | |
| SCHEMBL6506852 | 0.65 | DHODH (0.56) | TACR3GABRA5GABRA1GABRG2GABRB3 | |
| SCHEMBL2372430 | 0.64 | TACR3 (0.50) | TACR3KCNH2MAPTTACR2SMN1; SMN2 | |
| SCHEMBL6506812 | 0.63 | TRPV4 (0.58) | TACR3KCNH2TACR2 | |
| SCHEMBL28398501 | 0.63 | AXL (0.48) | GAAMAPTGABRA5GABRA1GABRG2 | |
| SCHEMBL2372595 | 0.63 | SMN1; SMN2 (0.54) | TACR3MAPTDHODHTACR2SMN1; SMN2 | |
| SCHEMBL5202872 | 0.61 | HPGD (0.52) | GAAMAPTDHODHPTGFRSMN1; SMN2 | |
| SCHEMBL5908880 | 0.61 | KDM4E (0.48) | GAAMAPTDHODHPTGFRSMN1; SMN2 | |
| SCHEMBL27729454 | 0.61 | LMNA (0.53) | TACR3MAPTDHODHTACR2SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005000845-A2 | BICYCLIC DERIVATIVES AS NK-1 AND NK-2 ANTAGONISTS | NIKEM RESEARCH S.R.L. (IT) | 2005-01-06 | — | — | WO | disclosed |