Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | NAAA | Q02083 | 3/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 8/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Heptane SCHEMBL8056393 | 1.00 | CYP1A2 (0.50) | CYP1A2TSHRTHRBNAAASIGMAR1 | |
| Decane SCHEMBL9122050 | 1.00 | CYP1A2 (0.50) | CYP1A2TSHRTHRBNAAASIGMAR1 | |
| Heptane SCHEMBL719492 | 1.00 | CYP1A2 (0.50) | CYP1A2TSHRTHRBNAAASIGMAR1 | |
| Heptane SCHEMBL8847330 | 1.00 | CYP1A2 (0.50) | CYP1A2TSHRTHRBNAAASIGMAR1 | |
| Cyclohexane SCHEMBL8575428 | 0.97 | CYP1A2 (0.52) | CYP1A2TSHRTHRBNAAASIGMAR1 | |
| Cyclohexane SCHEMBL27631080 | 0.97 | CYP1A2 (0.52) | CYP1A2TSHRTHRBNAAASIGMAR1 | |
| Hexane SCHEMBL7972177 | 0.97 | CYP1A2 (0.52) | CYP1A2TSHRTHRBNAAASIGMAR1 | |
| Octane SCHEMBL1155481 | 0.97 | TSHR (0.47) | CYP1A2TSHRTHRBNAAASIGMAR1 | |
| Cyclohexane SCHEMBL27704196 | 0.97 | CYP1A2 (0.52) | CYP1A2TSHRTHRBNAAASIGMAR1 | |
| Heptane SCHEMBL27663481 | 0.94 | TSHR (0.44) | CYP1A2TSHRTHRBNAAASIGMAR1 |
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-2291549-A2 | COMPOSITION FOR MANUFACTURING SIO2 RESIST LAYERS AND METHOD OF ITS USE | Merck Patent GmbH (DE) | 2011-03-09 | — | — | EP | claimed |
| WO-2009118083-A2 | COMPOSITION FOR MANUFACTURING SIO2 RESIST LAYERS AND METHOD OF ITS USE | MERCK PATENT GMBH (DE) | 2009-10-01 | — | — | WO | claimed |