Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 3/20 | 0.38 |
| ▸ | CES1 | P23141 | 3/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11041658 | 1.00 | ALOX15 (0.41) | ALOX15TSHRHPGDCES2CES1 | |
| SCHEMBL4851005 | 0.76 | HPGD (0.53) | ALOX15TSHRHPGDCES2CES1 | |
| SCHEMBL11142056 | 0.73 | HPGD (0.59) | ALOX15TSHRHPGDCES2CES1 | |
| SCHEMBL11105093 | 0.69 | TSHR (0.50) | ALOX15TSHRCES2CES1SRD5A2 | |
| SCHEMBL6448217 | 0.69 | TSHR (0.55) | ALOX15TSHRCES2CES1SRD5A2 | |
| SCHEMBL29262715 | 0.69 | ALOX15 (0.56) | ALOX15TSHRHPGDCES2CES1 | |
| SCHEMBL11044689 | 0.68 | CYP2C9 (0.44) | PTGS2ALDH1A1TRPA1 | |
| SCHEMBL11044687 | 0.68 | CYP2C9 (0.44) | PTGS2ALDH1A1TRPA1 | |
| SCHEMBL11360962 | 0.68 | CES2 (0.44) | ALOX15TSHRCES2CES1SRD5A2 | |
| SCHEMBL28062818 | 0.67 | CES2 (0.48) | ALOX15TSHRHPGDCES2CES1 |
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-0085321-B1 | DIPHOSPHONIC ACID DERIVATIVES AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM | SCHERING AKTIENGESELLSCHAFT (DE) | 1986-08-27 | — | — | EP | disclosed |
| US-4473560-A | Diphosphonic acid derivatives and pharmaceutical preparations containing them | SCHERING AKTIENGESELLSCHAFT (DE) | 1984-09-25 | — | — | US | disclosed |
| EP-0085321-A2 | Diphosphonic acid derivatives and pharmaceutical preparations containing them | SCHERING AKTIENGESELLSCHAFT (DE) | 1983-08-10 | — | — | EP | disclosed |