Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.32 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 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 | |
|---|---|---|---|---|
| Hexane SCHEMBL580067 | 0.88 | OPRM1 (0.43) | TSHRLMNADNM1ALDH1A1FDPS | |
| Hexane SCHEMBL244151 | 0.88 | OPRM1 (0.43) | TSHRLMNADNM1ALDH1A1FDPS | |
| Hexane SCHEMBL1080155 | 0.88 | OPRM1 (0.43) | TSHRLMNADNM1ALDH1A1FDPS | |
| SCHEMBL1081317 | 0.88 | OPRM1 (0.43) | TSHRLMNADNM1ALDH1A1FDPS | |
| Heptane SCHEMBL1323676 | 0.86 | TSHR (0.44) | TSHRLMNADNM1ALDH1A1FDPS | |
| Pentane SCHEMBL1914435 | 0.81 | LMNA (0.30) | TSHRLMNA | |
| SCHEMBL11395349 | 0.78 | TSHR (0.32) | TSHRTDP1 | |
| Pentane SCHEMBL9002883 | 0.73 | — | — | |
| Pentane SCHEMBL968651 | 0.73 | — | — | |
| SCHEMBL25428162 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0824096-A2 | Process for the preparation of halogenated (meth)acrylic esters and poly (meth) arcylates obtained with said (meth)acrylic esters | Akzo Nobel N.V. (NL) | 1998-02-18 | — | — | EP | disclosed |