Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | MMP12 | P39900 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.44 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11412039 | 0.95 | TSHR (0.59) | CYP2A6TSHRHSD17B10MMP12MMP13 | |
| SCHEMBL29038985 | 0.90 | TSHR (0.57) | CYP2A6TSHRHSD17B10MMP12MMP13 | |
| SCHEMBL15046531 | 0.90 | TSHR (0.57) | CYP2A6TSHRHSD17B10MMP12MMP13 | |
| SCHEMBL9144804 | 0.87 | CYP2A6 (0.53) | CYP2A6TSHRHSD17B10MMP12MMP13 | |
| SCHEMBL19407082 | 0.84 | CYP2A6 (0.53) | CYP2A6TSHRHSD17B10MMP12MMP13 | |
| SCHEMBL10534508 | 0.83 | TSHR (0.57) | CYP2A6TSHRHSD17B10MMP12MMP13 | |
| SCHEMBL10773411 | 0.83 | TSHR (0.57) | CYP2A6TSHRHSD17B10MMP12MMP13 | |
| SCHEMBL23543251 | 0.81 | TSHR (0.55) | CYP2A6TSHRHSD17B10MMP12MMP13 | |
| SCHEMBL21096330 | 0.81 | TSHR (0.55) | CYP2A6TSHRHSD17B10MMP12MMP13 | |
| SCHEMBL26601784 | 0.81 | TSHR (0.55) | CYP2A6TSHRHSD17B10MMP12MMP13 |
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-5188758-A | Electrooptical display element using a supertwist liquid crystal having specified elastic constants | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1993-02-23 | — | — | US | disclosed |