Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SLC26A6 | Q9BXS9 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL8890411 | 0.87 | TSHR (0.34) | HTTPOLBTSHRNPSR1ALDH1A1 | |
| SCHEMBL8890606 | 0.86 | HTT (0.37) | HTTNPC1KMT2ARAB9ASLC26A6 | |
| SCHEMBL8892292 | 0.85 | HTT (0.36) | HTTNPC1KMT2ARAB9ASLC26A6 | |
| SCHEMBL8890586 | 0.84 | ALDH1A1 (0.37) | HTTSLC26A6TSHRNPSR1ALDH1A1 | |
| SCHEMBL8890325 | 0.84 | HTT (0.34) | HTTPOLBTSHRNPSR1ALDH1A1 | |
| SCHEMBL9113480 | 0.83 | HCRTR2 (0.37) | HTTTSHRALDH1A1LMNAMAPT | |
| SCHEMBL8892762 | 0.83 | HCRTR2 (0.33) | HTTPOLBTSHRNPSR1ALDH1A1 | |
| SCHEMBL8892822 | 0.82 | HTT (0.34) | HTTKMT2ATSHRNPSR1ALDH1A1 | |
| SCHEMBL8892755 | 0.82 | HTT (0.39) | HTTKMT2ATSHRNPSR1ALDH1A1 | |
| SCHEMBL8890880 | 0.82 | SLC6A2 (0.41) | HTTKMT2APOLBNPSR1ALDH1A1 |
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-1997028136-A1 | BENZOYLISOXAZOLES AND 2-CYANO-1,3-DIONE DERIVATIVES AND THEIR USE AS HERBICIDES | RHONE-POULENC AGRICULTURE LTD. (GB) | 1997-08-07 | — | — | WO | disclosed |