Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.37 |
| ▸ | CCNC | P24863 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17895679 | 0.86 | CA12 (0.53) | CA12CA1CA2CA9CA14 | |
| SCHEMBL3416435 | 0.83 | ALDH1A1 (0.38) | CA12CA1CA2CA9CA14 | |
| Ethane SCHEMBL28051940 | 0.81 | ALDH1A1 (0.37) | CA12CA1CA2CA9CA14 | |
| SCHEMBL9376774 | 0.79 | CA12 (0.53) | CA12CA1CA2CA9CA14 | |
| SCHEMBL1052852 | 0.79 | ERN1 (0.49) | CA12CA1CA2CA9LMNA | |
| SCHEMBL29935810 | 0.79 | ERN1 (0.49) | CA12CA1CA2CA9LMNA | |
| SCHEMBL14271957 | 0.78 | PTGDR2 (0.61) | ALDH1A1SMN1; SMN2HPGDKMT2ANCOA3 | |
| SCHEMBL26124770 | 0.78 | EGFR (0.36) | CA12CA1CA2CA9CA14 | |
| SCHEMBL7054278 | 0.77 | CCNB2 (0.49) | LMNAAOC3ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL3819637 | 0.77 | CA12 (0.58) | CA12CA1CA2CA9CA14 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2888245-A1 | NEW BICYCLICPYRIDINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2015-07-01 | — | — | EP | disclosed |
| WO-2014029723-A1 | NEW BICYCLICPYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-02-27 | — | — | WO | disclosed |