Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.35 |
| ▸ | HRH1 | P35367 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | SCN4A | P35499 | 2/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | GRM7 | Q14831 | 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 | |
|---|---|---|---|---|
| SCHEMBL8784173 | 0.79 | HTR2A (0.39) | HTR2AHRH1CES2CES1TRPA1 | |
| SCHEMBL780668 | 0.76 | HTR2A (0.41) | HTR2AHRH1CES2CES1TRPA1 | |
| SCHEMBL19317396 | 0.71 | CES2 (0.44) | HTR2AHRH1CES2CES1TRPA1 | |
| SCHEMBL22042211 | 0.71 | HRH1 (0.46) | HTR2AHRH1CES2CES1TRPA1 | |
| SCHEMBL4892666 | 0.69 | CES2 (0.42) | HTR2AHRH1CES2CES1TRPA1 | |
| SCHEMBL331173 | 0.69 | TRPA1 (0.42) | HTR2AHRH1CES2CES1TRPA1 | |
| SCHEMBL2302000 | 0.68 | ALDH1A1 (0.48) | CES2CES1CYP1A2CYP2D6PKM | |
| SCHEMBL11600373 | 0.68 | ALDH1A1 (0.48) | CES2CES1CYP1A2CYP2D6PKM | |
| SCHEMBL4293759 | 0.68 | ALDH1A1 (0.48) | CES2CES1CYP1A2CYP2D6PKM | |
| SCHEMBL8692691 | 0.67 | KMT2A (0.51) | SCN4APKMNPSR1TSHR |
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-1995005081-A1 | BIOCIDAL COMPOSITIONS CONTAINING ORGANOBORON COMPOUNDS | U.S. BORAX INC. (US) | 1995-02-23 | — | — | WO | disclosed |