Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | RARB | P10826 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 3/20 | 0.33 |
| ▸ | CNR2 | P34972 | 3/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | TACR2 | P21452 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13045362 | 0.95 | CNR1 (0.34) | SMN1; SMN2NPC1GAANFKB1RAB9A | |
| SCHEMBL4455920 | 0.93 | NPC1 (0.36) | SMN1; SMN2NPC1GAANFKB1RAB9A | |
| SCHEMBL17248029 | 0.87 | NPC1 (0.32) | SMN1; SMN2NPC1GAANFKB1RAB9A | |
| SCHEMBL801269 | 0.87 | NPC1 (0.32) | SMN1; SMN2NPC1GAANFKB1RAB9A | |
| SCHEMBL4463559 | 0.86 | ESR1 (0.41) | SMN1; SMN2NPC1GAANFKB1RAB9A | |
| SCHEMBL13045720 | 0.86 | — | — | |
| SCHEMBL2825081 | 0.84 | ESR1 (0.42) | SMN1; SMN2NPC1GAANFKB1RAB9A | |
| SCHEMBL15132544 | 0.84 | ESR1 (0.42) | SMN1; SMN2NPC1GAANFKB1RAB9A | |
| SCHEMBL29971139 | 0.84 | ESR1 (0.42) | SMN1; SMN2NPC1GAANFKB1RAB9A | |
| SCHEMBL13046526 | 0.84 | SMN1; SMN2 (0.33) | SMN1; SMN2NPC1GAANFKB1RAB9A |
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 |