Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.36 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 4/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.34 |
| ▸ | CCNK | O75909 | 1/20 | 0.34 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.34 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL14881605 | 1.00 | CA2 (0.39) | CA2TMEM97SIGMAR1KCNJ5KCNJ3 | |
| SCHEMBL14881606 | 1.00 | CA2 (0.39) | CA2TMEM97SIGMAR1KCNJ5KCNJ3 | |
| SCHEMBL14882369 | 0.83 | TMEM97 (0.41) | CA2TMEM97SIGMAR1KCNJ5KCNJ3 | |
| SCHEMBL466017 | 0.83 | TMEM97 (0.41) | CA2TMEM97SIGMAR1KCNJ5KCNJ3 | |
| SCHEMBL1204190 | 0.83 | TMEM97 (0.41) | CA2TMEM97SIGMAR1KCNJ5KCNJ3 | |
| SCHEMBL20356724 | 0.81 | KCNJ5 (0.39) | CA2TMEM97SIGMAR1KCNJ5KCNJ3 | |
| SCHEMBL465818 | 0.80 | CA2 (0.43) | CA2KCNJ5KCNJ3JAK2NTRK1 | |
| SCHEMBL14896611 | 0.80 | CA2 (0.43) | CA2KCNJ5KCNJ3JAK2NTRK1 | |
| SCHEMBL14896717 | 0.80 | CA2 (0.43) | CA2KCNJ5KCNJ3JAK2NTRK1 | |
| SCHEMBL14896739 | 0.80 | CA2 (0.40) | CA2KCNJ5KCNJ3JAK2NTRK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013059587-A9 | SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2014-10-23 | — | — | WO | disclosed |
| EP-2768509-A1 | SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS | Glaxosmithkline LLC (US) | 2014-08-27 | — | — | EP | disclosed |
| WO-2013059587-A1 | SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2013-04-25 | — | — | WO | disclosed |