Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | XDH | P47989 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL7732393 | 0.75 | NR1H2 (0.50) | NR1H2NR1H3ALDH1A1GAALMNA | |
| SCHEMBL27335708 | 0.72 | KMT2A (0.44) | ALDH1A1CYP3A4CYP2C19MAPTGAA | |
| SCHEMBL9161393 | 0.72 | L3MBTL1 (0.50) | ALDH1A1CYP3A4CYP2C19CYP1A2L3MBTL1 | |
| SCHEMBL7739224 | 0.70 | NR1H2 (0.40) | NR1H2NR1H3MAPTGAALMNA | |
| SCHEMBL8836682 | 0.69 | NR1H2 (0.63) | NR1H2NR1H3MAPT | |
| SCHEMBL5118101 | 0.68 | NR1H2 (0.56) | NR1H2NR1H3 | |
| SCHEMBL7737806 | 0.68 | CYP4F2 (0.56) | NR1H2NR1H3MAPTGAATDP1 | |
| SCHEMBL7732429 | 0.67 | NR1H2 (0.50) | NR1H2NR1H3ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL7738427 | 0.66 | NR1H2 (0.53) | NR1H2NR1H3ALDH1A1MAPTGAA | |
| SCHEMBL7739199 | 0.66 | HPGD (0.55) | NR1H2NR1H3ALDH1A1MAPTNPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6416861-B1 | COMBINATORIAL CHEMISTRY | NORTHWESTERN UNIVERSITY | 2002-07-09 | — | — | US | disclosed |
| WO-2000049022-A2 | ORGANOSILICON COMPOUNDS AND USES THEREOF | NORTHWESTERN UNIVERSITY (US) | 2000-08-24 | — | — | WO | disclosed |