Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.43 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.38 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.38 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.38 |
| ▸ | ANPEP | P15144 | 1/20 | 0.37 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.37 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.37 |
| ▸ | LAP3 | P28838 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | THPO | P40225 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | CTH | P32929 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25379715 | 0.79 | RNPEP (0.37) | SLC7A5CACNA2D1CACNB3CACNA1CPGR | |
| SCHEMBL2413470 | 0.79 | TSHR (0.37) | SLC1A3SLC1A2TSHRTHPOCTH | |
| SCHEMBL9486252 | 0.79 | — | — | |
| SCHEMBL9486823 | 0.79 | — | — | |
| SCHEMBL9486813 | 0.79 | — | — | |
| SCHEMBL2952521 | 0.78 | — | — | |
| SCHEMBL9767573 | 0.78 | ANPEP (0.50) | SLC7A5SLC1A3SLC1A2ANPEPERAP2 | |
| Hydrochloric Acid SCHEMBL23296788 | 0.77 | GABRP (0.43) | SLC7A5CACNA1CHTR2BTSHRTHPO | |
| Hydrochloric Acid SCHEMBL23296786 | 0.77 | GABRP (0.43) | SLC7A5CACNA1CHTR2BTSHRTHPO | |
| SCHEMBL5666611 | 0.76 | TSHR (0.40) | SLC7A5ANPEPERAP2ERAP1TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0350002-B1 | DIPHOSPHONIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THOSE COMPOUNDS | Roche Diagnostics GmbH (DE) | 1993-01-13 | — | — | EP | disclosed |
| US-5002937-A | Diphosphonic acid alkyloxyalkylamines for bone disorders | BOEHRINGER MANNHEIM GMBH (DE) | 1991-03-26 | — | — | US | disclosed |
| EP-0350002-A1 | Diphosphonic-acid derivatives, process for their preparation and medicines containing those compounds | Roche Diagnostics GmbH (DE) | 1990-01-10 | — | — | EP | disclosed |