Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.62 |
| ▸ | LTA4H | P09960 | 2/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.45 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14957137 | 0.89 | CYP1A2 (0.48) | CYP1A2CYP2C19CYP2C9KMT2AMAPT | |
| 1,2-Dibutoxybenzene SCHEMBL29428927 | 0.86 | CYP1A2 (0.72) | CYP1A2CYP2C19CYP2C9LTA4HCYP19A1 | |
| 1,2-Dibutoxybenzene SCHEMBL1226749 | 0.86 | CYP1A2 (0.72) | CYP1A2CYP2C19CYP2C9LTA4HCYP19A1 | |
| 1,2-Dibutoxybenzene SCHEMBL6236324 | 0.84 | CYP1A2 (0.69) | CYP1A2CYP2C19CYP2C9LTA4HCYP19A1 | |
| 1-Propoxy-2-Butoxybenzene SCHEMBL2846696 | 0.82 | CYP1A2 (0.67) | CYP1A2CYP2C19CYP2C9LTA4HCYP19A1 | |
| SCHEMBL29091824 | 0.82 | CYP1A2 (0.52) | CYP1A2CYP2C19CYP2C9LTA4HCYP19A1 | |
| SCHEMBL28589559 | 0.81 | CYP1A2 (0.60) | CYP1A2CYP2C19CYP2C9LTA4HCYP19A1 | |
| SCHEMBL10730442 | 0.80 | CYP1A2 (0.64) | CYP1A2CYP2C19CYP2C9LTA4HCYP19A1 | |
| 1-Ethoxy-2-Butoxybenzene SCHEMBL3460023 | 0.80 | L3MBTL1 (0.66) | CYP1A2CYP2C19CYP2C9LTA4HCYP19A1 | |
| SCHEMBL28357821 | 0.80 | CYP1A2 (0.64) | CYP1A2CYP2C19CYP2C9LTA4HCYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100354319-C | Hydrogenation catalyst composition and method for hydrogenating conjugate diene polymer | TAIWAN RUBBER CO LTD (CN) | 2007-12-12 | — | — | CN | disclosed |
| CN-1781955-A | Hydrogenation catalyst composition and method for hydrogenating conjugate diene polymer | TAIWAN RUBBER CO LTD (CN) | 2006-06-07 | — | — | CN | disclosed |