Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA7 | P43166 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 5/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11053115 | 0.82 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5693160 | 0.80 | CA12 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL26493679 | 0.79 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11197828 | 0.79 | L3MBTL1 (0.36) | SMN1; SMN2CYP3A4TDP1ALDH1A1POLB | |
| SCHEMBL19242387 | 0.78 | CA12 (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11055735 | 0.77 | TSHR (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11050557 | 0.77 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL19242432 | 0.76 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31237051 | 0.74 | CA12 (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12495591 | 0.73 | TSHR (0.59) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104193725-B | Organic compound | 诺华股份有限公司 | 2016-11-16 | — | — | CN | disclosed |
| EP-2307371-A2 | ORGANIC COMPOUNDS | Novartis AG (CH) | 2011-04-13 | — | — | EP | disclosed |
| WO-2009156462-A2 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2009-12-30 | — | — | WO | disclosed |