Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | TSPO | P30536 | 1/20 | 0.30 |
| ▸ | FAAH | O00519 | 1/20 | 0.30 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12703009 | 0.76 | ALDH1A1 (0.32) | FAAHALDH1A1 | |
| SCHEMBL14432179 | 0.75 | GRIN2D (0.34) | ALDH1A1 | |
| SCHEMBL12270015 | 0.75 | MAP2K1 (0.32) | NPC1TSHRRAB9AMAP2K1ALDH1A1 | |
| SCHEMBL13097121 | 0.74 | GRM4 (0.35) | TSPO | |
| SCHEMBL13527270 | 0.72 | TSHR (0.30) | TSHR | |
| SCHEMBL10309307 | 0.69 | HTR2A (0.35) | — | |
| SCHEMBL16153994 | 0.67 | NR1H3 (0.42) | NPC1RAB9ANPSR1MAP2K1ALDH1A1 | |
| SCHEMBL13002800 | 0.66 | MEN1 (0.30) | KMT2A | |
| SCHEMBL14444019 | 0.62 | — | — | |
| SCHEMBL26416389 | 0.61 | NCEH1 (0.46) | NPC1TSHRRAB9AFAAHALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7256158-B2 | 2,4,5,-trisubstituted phenylketo-enols for use as pesticides and herbicides | BAYER AG (DE) | 2007-08-14 | — | — | US | disclosed |