Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 3/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9622511 | 0.83 | CYP2A6 (0.44) | CYP2A6ALDH1A1ALOX15MAPK1IDO1 | |
| SCHEMBL10317698 | 0.83 | CYP2A6 (0.44) | CYP2A6ALDH1A1ALOX15MAPK1IDO1 | |
| SCHEMBL8915096 | 0.77 | CYP2A6 (0.50) | CYP2A6ALDH1A1ALOX15MAPK1IDO1 | |
| SCHEMBL4839303 | 0.77 | CYP2A6 (0.50) | CYP2A6ALDH1A1ALOX15MAPK1CYP19A1 | |
| SCHEMBL570229 | 0.77 | CYP2A6 (0.50) | CYP2A6ALDH1A1ALOX15MAPK1IDO1 | |
| SCHEMBL8349228 | 0.74 | CYP2A6 (0.47) | CYP2A6ALDH1A1ALOX15MAPK1IDO1 | |
| SCHEMBL8040586 | 0.74 | ESR1 (0.48) | ALDH1A1TDP1TSHRNPC1RAB9A | |
| SCHEMBL5034146 | 0.74 | ACHE (0.47) | ALDH1A1CYP19A1CYP11B1CYP11B2TDP1 | |
| SCHEMBL20455818 | 0.74 | LMNA (0.47) | CYP2A6ALDH1A1CYP19A1IDO1HDAC8 | |
| SCHEMBL15679941 | 0.72 | CYP2A6 (0.44) | CYP2A6ALDH1A1ALOX15MAPK1IDO1 |
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-1991016329-A1 | ORGANOSILICIFIED COMPOUNDS AND MATERIALS AND DEVICES CONTAINING SAME | RHONE-POULENC CHIMIE (FR) | 1991-10-31 | — | — | WO | disclosed |