Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | LPAR3 | Q9UBY5 | 5/20 | 0.38 |
| ▸ | LPAR1 | Q92633 | 3/20 | 0.38 |
| ▸ | LPAR2 | Q9HBW0 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | CDC25A | P30304 | 1/20 | 0.32 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL7998422 | 0.90 | ALDH1A1 (0.33) | ALDH1A1LMNA | |
| SCHEMBL7882579 | 0.81 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL7989602 | 0.77 | — | — | |
| SCHEMBL17848877 | 0.74 | CYP3A4 (0.47) | CYP3A4LPAR3LPAR1LPAR2TSHR | |
| SCHEMBL7990056 | 0.72 | CTSA (0.30) | — | |
| SCHEMBL2962705 | 0.69 | CYP3A4 (0.54) | CYP3A4LPAR3LPAR1LPAR2TSHR | |
| SCHEMBL17860890 | 0.68 | CYP3A4 (0.48) | CYP3A4LPAR3LPAR1LPAR2TSHR | |
| SCHEMBL17860871 | 0.68 | CYP3A4 (0.48) | CYP3A4LPAR3LPAR1LPAR2TSHR | |
| SCHEMBL787793 | 0.68 | CYP3A4 (0.48) | CYP3A4LPAR3LPAR1LPAR2TSHR | |
| SCHEMBL814225 | 0.68 | CYP3A4 (0.48) | CYP3A4LPAR3LPAR1LPAR2TSHR |
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-0944635-A4 | DIPHOSPHONATE THERAPEUTIC COMPOUNDS | ELIZANOR BIOPHARMACEUTICALS IN (US) | 2000-07-05 | — | — | EP | claimed |
| EP-0944635-A1 | DIPHOSPHONATE THERAPEUTIC COMPOUNDS | Elizanor Biopharmaceuticals, Inc. (US) | 1999-09-29 | — | — | EP | claimed |
| WO-1998015560-A1 | DIPHOSPHONATE THERAPEUTIC COMPOUNDS | ELIZANOR BIOPHARMACEUTICALS, INC. (US) | 1998-04-16 | — | — | WO | claimed |