Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4928340 | 0.73 | THRB (0.35) | ALDH1A1GAATDP1SMN1; SMN2 | |
| O-Xylene SCHEMBL27798322 | 0.71 | ALDH1A1 (0.42) | NPC1RAB9AHPGDALDH1A1GAA | |
| SCHEMBL5483835 | 0.71 | CYP2C19 (0.35) | RAB9AHPGDALDH1A1GAATDP1 | |
| Toluene SCHEMBL3759688 | 0.69 | THRB (0.40) | ALDH1A1TDP1MAPTALOX12 | |
| SCHEMBL29223274 | 0.69 | NPC1 (0.48) | NPC1RAB9AHPGDALDH1A1GAA | |
| SCHEMBL648951 | 0.68 | NPC1 (0.62) | NPC1RAB9AHPGDALDH1A1GAA | |
| SCHEMBL31132053 | 0.68 | THRB (0.39) | ALDH1A1TDP1POLBNPSR1 | |
| SCHEMBL4406254 | 0.68 | RAB9A (0.52) | NPC1RAB9AHPGDALDH1A1GAA | |
| SCHEMBL3169549 | 0.68 | CYP2C19 (0.46) | ALDH1A1GAAKDM4ESMN1; SMN2MAPT | |
| Acrylic Acid Methyl Ester SCHEMBL27522901 | 0.68 | ALDH1A1 (0.42) | NPC1RAB9AHPGDALDH1A1GAA |
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-101348536-B | Emulsion polymer comprising activators, process for preparation thereof and use thereof in two-component or multicomponent systems | EVONIK ROEHM GMBH | 2014-06-11 | — | — | CN | disclosed |
| CN-101343335-A | Two or more-component system cured by a redox initiator system with controllable working life, and the use thereof | EVONIK ROEHM GMBH (DE) | 2009-01-14 | — | — | CN | disclosed |