Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.68 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.50 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.50 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.44 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.41 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11520139 | 1.00 | CYP2A6 (0.68) | CYP2A6GRIA1GRIA2GRIA3HSD17B10 | |
| SCHEMBL9620822 | 0.88 | CYP2A6 (0.53) | CYP2A6GRIA1GRIA2GRIA3HSD17B10 | |
| SCHEMBL9620819 | 0.88 | CYP2A6 (0.53) | CYP2A6GRIA1GRIA2GRIA3HSD17B10 | |
| SCHEMBL11521844 | 0.86 | SPHK1 (0.49) | CYP2A6GRIA1GRIA2GRIA3HSD17B10 | |
| SCHEMBL11521849 | 0.86 | SPHK1 (0.49) | CYP2A6GRIA1GRIA2GRIA3HSD17B10 | |
| SCHEMBL5958188 | 0.84 | GRIA1 (0.49) | CYP2A6GRIA1GRIA2GRIA3ALDH1A1 | |
| SCHEMBL4321926 | 0.84 | SPHK1 (0.50) | SPHK1 | |
| SCHEMBL11525432 | 0.83 | TSHR (0.58) | CYP2A6HSD17B10SPHK1TSHR | |
| SCHEMBL11525436 | 0.83 | TSHR (0.58) | CYP2A6HSD17B10SPHK1TSHR | |
| SCHEMBL8754270 | 0.83 | CYP2A6 (0.46) | CYP2A6GRIA1GRIA2GRIA3HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-4154697-A | Liquid crystalline hexahydroterphenyl derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1979-05-15 | — | — | US | disclosed |