Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | NQO2 | P16083 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.44 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.44 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.44 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8710672 | 0.83 | CYP1A2 (0.50) | CYP2A6CYP1A2RAB9AKMT2A | |
| SCHEMBL8668861 | 0.83 | RAB9A (0.51) | CYP2A6CYP1A2RAB9ANQO2KMT2A | |
| SCHEMBL1930129 | 0.82 | ALDH1A1 (0.61) | CYP2A6CYP1A2NQO2TRPA1LTA4H | |
| SCHEMBL8598224 | 0.81 | NQO2 (0.50) | CYP2A6CYP1A2NQO2MEN1KMT2A | |
| SCHEMBL2123173 | 0.81 | LTA4H (0.57) | CYP2A6RAB9AMEN1KMT2ATRPA1 | |
| SCHEMBL5580077 | 0.81 | LTA4H (0.57) | CYP2A6RAB9AKMT2ATRPA1LTA4H | |
| SCHEMBL7764479 | 0.80 | RAB9A (0.46) | CYP2A6CYP1A2RAB9AKMT2A | |
| SCHEMBL4949651 | 0.80 | RELA (0.54) | CYP2A6RAB9AALDH1A1SMN1; SMN2TP53 | |
| SCHEMBL7220223 | 0.80 | CYP1A2 (0.48) | CYP2A6CYP1A2RAB9AALDH1A1L3MBTL1 | |
| SCHEMBL8710305 | 0.79 | TRPA1 (0.50) | CYP2A6RAB9AKMT2ATRPA1LTA4H |
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 |
|---|---|---|---|---|---|---|---|
| EP-0974595-B1 | PROCESS FOR PRODUCING BORON COMPOUNDS | SHOWA DENKO KK (JP) | 2003-10-01 | — | — | EP | disclosed |