Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | FNTA | P49354 | 3/20 | 0.32 |
| ▸ | FNTB | P49356 | 3/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Trepibutone SCHEMBL29441541 | 0.79 | TSHR (0.61) | ALDH1A1TSHRCYP3A4HSD17B10CYP2C19 | |
| Trepibutone SCHEMBL25039 | 0.79 | TSHR (0.61) | ALDH1A1TSHRCYP3A4HSD17B10CYP2C19 | |
| Isometheptene SCHEMBL17316005 | 0.77 | ALDH1A1 (0.71) | ALDH1A1TSHRALOX15FNTAFNTB | |
| SCHEMBL11683269 | 0.73 | TSHR (0.51) | ALDH1A1TSHRCYP3A4HSD17B10CYP2C19 | |
| Isometheptene SCHEMBL6040945 | 0.71 | ALDH1A1 (0.75) | ALDH1A1TSHRALOX15FNTAFNTB | |
| Stearic Acid SCHEMBL21989270 | 0.70 | ALDH1A1 (0.57) | ALDH1A1TSHRHSD17B10CYP2C19ALOX15 | |
| Isometheptene SCHEMBL3927395 | 0.69 | ALDH1A1 (0.73) | ALDH1A1TSHRALOX15FNTAFNTB | |
| SCHEMBL4264883 | 0.69 | KMT2A (0.53) | ALDH1A1TSHRCYP3A4HSD17B10CYP2C19 | |
| SCHEMBL11684059 | 0.69 | HMGCR (0.51) | ALDH1A1TSHRCYP3A4HSD17B10CYP2C19 | |
| Isometheptene SCHEMBL1291709 | 0.68 | ALDH1A1 (0.67) | ALDH1A1TSHRALOX15FNTAFNTB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2699579-A1 | PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS | Origenis GmbH (DE) | 2014-02-26 | — | — | EP | disclosed |
| EP-2699572-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | Origenis GmbH (DE) | 2014-02-26 | — | — | EP | disclosed |
| WO-2012143144-A1 | PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS | ORIGENIS GMBH (DE) | 2012-10-26 | — | — | WO | disclosed |
| WO-2012143143-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | ORIGENIS GMBH (DE) | 2012-10-26 | — | — | WO | disclosed |