Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MELK | Q14680 | 1/20 | 0.48 |
| ▸ | PNMT | P11086 | 6/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.48 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4543801 | 0.94 | PLAU (0.49) | MELKPNMTADRA2AADRA2BADRA2C | |
| Trifluoroacetic Acid SCHEMBL31335937 | 0.91 | MELK (0.44) | MELKPNMTADRA2AADRA2BADRA2C | |
| SCHEMBL29728413 | 0.84 | PNMT (0.53) | MELKPNMTADRA2AADRA2BADRA2C | |
| SCHEMBL1033504 | 0.84 | PNMT (0.53) | MELKPNMTADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL17748278 | 0.83 | PNMT (0.51) | MELKPNMTADRA2AADRA2BADRA2C | |
| SCHEMBL4380045 | 0.81 | MELK (0.48) | MELKPNMTADRA2AADRA2BADRA2C | |
| SCHEMBL30357006 | 0.79 | ALDH1A1 (0.59) | ADRA2AADRA2BADRA2C | |
| SCHEMBL29589725 | 0.79 | ALDH1A1 (0.59) | MELKPNMTADRA2AADRA2BADRA2C | |
| SCHEMBL1026913 | 0.79 | ALDH1A1 (0.59) | MELKPNMTADRA2AADRA2BADRA2C | |
| SCHEMBL1119301 | 0.78 | PLAU (0.53) | MELKPNMT |
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-2120910-A2 | HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF | Novartis Ag (CH) | 2009-11-25 | — | — | EP | claimed |
| WO-2008076954-A2 | HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF | NOVARTIS AG (CH) | 2008-06-26 | — | — | WO | claimed |