Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HRH1 | P35367 | 2/20 | 0.42 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL29140161 | 0.98 | MEN1 (0.43) | MEN1KMT2ANPSR1SIGMAR1KCNH2 | |
| Water SCHEMBL28973048 | 0.92 | KCNH2 (0.46) | SIGMAR1KCNH2OPRD1DRD2OPRM1 | |
| SCHEMBL27819823 | 0.92 | KCNH2 (0.50) | SIGMAR1KCNH2OPRD1DRD2OPRM1 | |
| Water SCHEMBL28983982 | 0.90 | KCNH2 (0.49) | SIGMAR1KCNH2OPRD1DRD2OPRM1 | |
| Water SCHEMBL31405488 | 0.90 | KCNH2 (0.49) | SIGMAR1KCNH2OPRD1DRD2OPRM1 | |
| Water SCHEMBL28973051 | 0.90 | KCNH2 (0.49) | SIGMAR1KCNH2OPRD1DRD2OPRM1 | |
| SCHEMBL17690743 | 0.87 | KCNA5 (0.44) | SIGMAR1KCNH2TDP1OPRD1OPRM1 | |
| Water SCHEMBL11573825 | 0.82 | TSHR (0.42) | MEN1KMT2ANPSR1SIGMAR1KCNH2 | |
| SCHEMBL4875211 | 0.81 | CYP1A2 (0.46) | MEN1KMT2AOPRD1DRD2OPRM1 | |
| SCHEMBL4945859 | 0.80 | LMNA (0.45) | MEN1KMT2ANPSR1SIGMAR1KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2582765-A1 | 2-ETHYLHEXYL METHYL TEREPHTHALATE AS PLASTICISERS IN ADHESIVES OR SEALANTS | BASF SE (DE) | 2013-04-24 | — | — | EP | disclosed |
| WO-2011161037-A1 | 2-ETHYLHEXYL METHYL TEREPHTHALATE AS PLASTICISERS IN ADHESIVES OR SEALANTS | BASF SE (DE) | 2011-12-29 | — | — | WO | disclosed |