Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.61 |
| ▸ | GNAI3 | P08754 | 4/20 | 0.47 |
| ▸ | GNAO1 | P09471 | 4/20 | 0.47 |
| ▸ | GNAI1 | P63096 | 4/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.42 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.39 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19121999 | 0.94 | KCNH2 (0.63) | KCNH2GNAI3GNAO1GNAI1EPHX1 | |
| SCHEMBL1198152 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL6629106 | 0.87 | KCNH2 (0.71) | KCNH2GNAI3GNAO1GNAI1EPHX1 | |
| SCHEMBL18236742 | 0.83 | KCNH2 (0.73) | KCNH2GNAI3GNAO1GNAI1EPHX1 | |
| SCHEMBL18236734 | 0.83 | KCNH2 (0.73) | KCNH2GNAI3GNAO1GNAI1EPHX1 | |
| SCHEMBL5784976 | 0.83 | KCNH2 (0.73) | KCNH2GNAI3GNAO1GNAI1EPHX1 | |
| SCHEMBL465770 | 0.82 | — | — | |
| SCHEMBL22316957 | 0.79 | KDM4E (0.48) | KCNH2EPHX1DPP7KDM4EALDH1A1 | |
| SCHEMBL22790769 | 0.79 | KDM4E (0.48) | KCNH2EPHX1DPP7KDM4EALDH1A1 | |
| SCHEMBL22416728 | 0.79 | KDM4E (0.48) | KCNH2EPHX1DPP7KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7557110-B2 | MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine | TEIJIN PHARMA LIMITED (JP) | 2009-07-07 | — | — | US | disclosed |