Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | MEF2D | Q14814 | 1/20 | 0.33 |
| ▸ | TLR4 | O00206 | 1/20 | 0.33 |
| ▸ | TLR2 | O60603 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | UNG | P13051 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.32 |
| ▸ | SLC5A2 | P31639 | 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 | |
|---|---|---|---|---|
| SCHEMBL13468548 | 0.82 | NPC1 (0.50) | ALDH1A1L3MBTL1SMN1; SMN2NPC1GAA | |
| SCHEMBL17450353 | 0.82 | MAOA (0.39) | ALDH1A1SMN1; SMN2NPC1GAARAB9A | |
| SCHEMBL13469226 | 0.82 | SMN1; SMN2 (0.41) | ALDH1A1L3MBTL1SMN1; SMN2NPC1GAA | |
| SCHEMBL8459424 | 0.82 | SMN1; SMN2 (0.41) | ALDH1A1L3MBTL1SMN1; SMN2NPC1GAA | |
| SCHEMBL15614337 | 0.79 | ALDH1A1 (0.39) | ALDH1A1L3MBTL1SMN1; SMN2NPC1GAA | |
| SCHEMBL24130977 | 0.78 | NPC1 (0.47) | L3MBTL1SMN1; SMN2NPC1GAARAB9A | |
| SCHEMBL13469230 | 0.77 | SRC (0.47) | ALDH1A1SMN1; SMN2NPC1GAAHDAC4 | |
| SCHEMBL8471405 | 0.77 | SRC (0.47) | ALDH1A1SMN1; SMN2NPC1GAAHDAC4 | |
| SCHEMBL13468449 | 0.72 | NPC1 (0.44) | ALDH1A1L3MBTL1SMN1; SMN2NPC1GAA | |
| SCHEMBL18717017 | 0.71 | NPC1 (0.39) | ALDH1A1SMN1; SMN2NPC1GAARAB9A |
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-2016008862-A1 | SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-01-21 | — | — | WO | disclosed |