Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIA1 | P42261 | 1/20 | 0.48 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.48 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | USP30 | Q70CQ3 | 3/20 | 0.40 |
| ▸ | EP300 | Q09472 | 2/20 | 0.40 |
| ▸ | MMP12 | P39900 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11525270 | 1.00 | GRIA1 (0.48) | GRIA1GRIA2GRIA3SLC6A2SLC6A4 | |
| SCHEMBL13617597 | 0.85 | CYP2A6 (0.54) | SLC6A2SLC6A4KCNJ1KCNH2CYP2A6 | |
| SCHEMBL11521849 | 0.83 | SPHK1 (0.49) | GRIA1GRIA2GRIA3KCNJ1KCNH2 | |
| SCHEMBL11521844 | 0.83 | SPHK1 (0.49) | GRIA1GRIA2GRIA3KCNJ1KCNH2 | |
| SCHEMBL9450875 | 0.82 | GRIA1 (0.48) | GRIA1GRIA2GRIA3SLC6A2SLC6A4 | |
| SCHEMBL9501676 | 0.80 | TSHR (0.57) | SLC6A2SLC6A4KCNJ1KCNH2CYP2A6 | |
| SCHEMBL11525436 | 0.80 | TSHR (0.58) | CYP2A6SPHK1TSHRHSD17B10 | |
| SCHEMBL11525432 | 0.80 | TSHR (0.58) | CYP2A6SPHK1TSHRHSD17B10 | |
| SCHEMBL11521375 | 0.79 | TDP1 (0.47) | GRIA1GRIA2GRIA3HRH3 | |
| SCHEMBL11521381 | 0.79 | TDP1 (0.47) | GRIA1GRIA2GRIA3HRH3 |
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 |