Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.65 |
| ▸ | CA7 | P43166 | 2/20 | 0.65 |
| ▸ | CA9 | Q16790 | 2/20 | 0.65 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | CASR | P41180 | 2/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.54 |
| ▸ | HTR1A | P08908 | 1/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.54 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.54 |
| ▸ | DRD1 | P21728 | 1/20 | 0.54 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.54 |
| ▸ | DRD3 | P35462 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL23135630 | 1.00 | CA12 (0.65) | CA12CA7CA9CA14CYP3A4 | |
| SCHEMBL29016878 | 0.86 | CYP3A4 (0.52) | CA12CA7CA9CA14CYP3A4 | |
| SCHEMBL26018532 | 0.86 | CYP3A4 (0.52) | CA12CA7CA9CA14CYP3A4 | |
| SCHEMBL4331889 | 0.84 | CA12 (0.49) | CA12CA7CA9CA14CYP3A4 | |
| SCHEMBL27943340 | 0.84 | CYP3A4 (0.59) | CA12CA7CA9CA14CYP3A4 | |
| SCHEMBL25360452 | 0.84 | CYP3A4 (0.59) | CA12CA7CA9CA14CYP3A4 | |
| SCHEMBL2749557 | 0.84 | CYP3A4 (0.59) | CA12CA7CA9CA14CYP3A4 | |
| SCHEMBL2408159 | 0.83 | APAF1 (0.57) | CA12CA7CA9CA14CYP3A4 | |
| SCHEMBL6809830 | 0.83 | APAF1 (0.57) | CA12CA7CA9CA14CYP3A4 | |
| SCHEMBL2408156 | 0.83 | APAF1 (0.57) | CA12CA7CA9CA14CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8178712-B2 | Process for the synthesis of Ibandronate sodium | CIPLA LTD. (IN) | 2012-05-15 | — | — | US | claimed |
| EP-2038291-B1 | PROCESS FOR THE SYNTHESIS OF IBANDRONATE SODIUM | CIPLA LTD (IN) | 2010-07-14 | — | — | EP | claimed |