Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.54 |
| ▸ | CA2 | P00918 | 3/20 | 0.54 |
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | CA7 | P43166 | 2/20 | 0.54 |
| ▸ | CA9 | Q16790 | 2/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.54 |
| ▸ | ESR1 | P03372 | 1/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.49 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.49 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.49 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL15964829 | 0.81 | CA1 (0.50) | CA1CA2CA12CA7CA9 | |
| SCHEMBL18823837 | 0.81 | CA1 (0.59) | CA1CA2CA12CA7CA9 | |
| SCHEMBL570567 | 0.81 | LMNA (0.67) | CA1CA2CA12CA7CA9 | |
| SCHEMBL11695037 | 0.80 | CA1 (0.61) | CA1CA2CA12CA7CA9 | |
| SCHEMBL14039347 | 0.80 | CA1 (0.61) | CA1CA2CA12CA7CA9 | |
| SCHEMBL10609204 | 0.80 | CA1 (0.61) | CA1CA2CA12CA7CA9 | |
| SCHEMBL828579 | 0.79 | CA1 (0.66) | CA1CA2CA12CA7CA9 | |
| SCHEMBL21656485 | 0.79 | CA12 (0.49) | CA1CA2CA12CA7CA9 | |
| SCHEMBL87450 | 0.78 | CA1 (0.83) | CA1CA2CA12CA7CA9 | |
| SCHEMBL17524449 | 0.78 | LMNA (0.62) | CA1CA2CA12CA7CA9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014125408-A2 | SUBSTITUTED 1H-PYRROLOPYRIDINONE DERIVATIVES AS KINASE INHIBITORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2014-08-21 | — | — | WO | disclosed |