Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CA9 | Q16790 | 4/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.44 |
| ▸ | KDM4A | O75164 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | IGF1R | P08069 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 2/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.37 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.37 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31104352 | 1.00 | CA1 (0.44) | CA1CA2CA9CA12KDM4A | |
| SCHEMBL8218002 | 0.87 | CA12 (0.45) | CA1CA2CA9CA12KDM4A | |
| SCHEMBL31103954 | 0.84 | CA1 (0.45) | CA1CA2CA9CA12KDM4A | |
| SCHEMBL8223789 | 0.84 | CA1 (0.42) | CA1CA2CA9CA12KDM4A | |
| SCHEMBL31432404 | 0.83 | CA12 (0.44) | CA1CA2CA9CA12KDM4A | |
| SCHEMBL31380377 | 0.79 | KDM4A (0.45) | CA1CA12KDM4ABCHECYP1A2 | |
| SCHEMBL29664294 | 0.79 | KDM4A (0.44) | CA1CA2CA9CA12KDM4A | |
| SCHEMBL26697003 | 0.79 | NPSR1 (0.47) | CA1CA2CA9CA12KDM4A | |
| SCHEMBL31380399 | 0.78 | MEN1 (0.44) | CA1CA2CA9CA12KDM4A | |
| SCHEMBL533745 | 0.78 | RAB9A (0.34) | LMNAIGF1RMEN1NPC1RAB9A |
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-2016054807-A1 | TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF | MERCK SHARP & DOHME CORP. (US) | 2016-04-14 | — | — | WO | disclosed |