Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 4/20 | 0.34 |
| ▸ | CNR2 | P34972 | 4/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.33 |
| ▸ | RELA | Q04206 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | PLK1 | P53350 | 8/20 | 0.31 |
| ▸ | PLK3 | Q9H4B4 | 2/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13045352 | 0.95 | SMN1; SMN2 (0.36) | CNR1CNR2NPC1NFKB1RAB9A | |
| SCHEMBL4455920 | 0.89 | NPC1 (0.36) | CNR1CNR2NPC1NFKB1RAB9A | |
| SCHEMBL15502226 | 0.83 | CNR1 (0.37) | CNR1CNR2NPC1NFKB1RAB9A | |
| SCHEMBL12443259 | 0.83 | CNR2 (0.37) | CNR1CNR2 | |
| SCHEMBL17248029 | 0.82 | NPC1 (0.32) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL801269 | 0.82 | NPC1 (0.32) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL12621158 | 0.82 | NPC1 (0.39) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL4463559 | 0.82 | ESR1 (0.41) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL13045720 | 0.81 | — | — | |
| SCHEMBL801249 | 0.81 | CNR1 (0.34) | CNR1CNR2NPC1NFKB1RAB9A |
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-2010149261-A1 | POLYMERS CONTAINING STRUCTURAL UNITS THAT COMPRISE ALKYL ALKOXY GROUPS, BLENDS CONTAINING SAID POLYMERS, AND OPTOELECTRONIC DEVICES CONTAINING SAID POLYMERS AND BLENDS | MERCK PATENT GMBH (DE) | 2010-12-29 | — | — | WO | disclosed |