Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9082704 | 0.92 | KCNH2 (0.44) | KCNH2POLBMTNR1AMTNR1BNPC1 | |
| SCHEMBL6220874 | 0.91 | KCNH2 (0.43) | KCNH2POLBMTNR1AMTNR1BNPC1 | |
| SCHEMBL8916904 | 0.89 | KCNH2 (0.42) | KCNH2POLBMTNR1AMTNR1BNPC1 | |
| SCHEMBL8915171 | 0.89 | KCNH2 (0.42) | KCNH2POLBMTNR1AMTNR1BNPC1 | |
| SCHEMBL8915431 | 0.89 | KCNH2 (0.42) | KCNH2POLBMTNR1AMTNR1BNPC1 | |
| SCHEMBL8916827 | 0.89 | KCNH2 (0.42) | KCNH2POLBMTNR1AMTNR1BNPC1 | |
| SCHEMBL9219461 | 0.83 | FDPS (0.43) | KCNH2POLBMTNR1AMTNR1BNPC1 | |
| SCHEMBL9082073 | 0.81 | FDPS (0.40) | KCNH2POLBMTNR1AMTNR1BNPC1 | |
| SCHEMBL8960504 | 0.81 | NPSR1 (0.44) | KCNH2POLBNPC1SMN1; SMN2RAB9A | |
| SCHEMBL9083101 | 0.79 | PKM (0.35) | POLBALDH1A1MEN1KMT2AKDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5512552-A | Bisphosphonic acid derivatives, and pharmaceutical use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-04-30 | — | — | US | disclosed |
| EP-0464509-B1 | Biphosphonic acid derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1995-08-30 | — | — | EP | disclosed |
| US-5376647-A | A pyridyl-sulfur contained-alkylaminomethylene bisphosphonic acid derivatives treating osteoporosis | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-12-27 | — | — | US | disclosed |
| EP-0464509-A1 | Biphosphonic acid derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1992-01-08 | — | — | EP | disclosed |