Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.42 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | MMP12 | P39900 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.37 |
| ▸ | FNTA | P49354 | 1/20 | 0.37 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL26818468 | 0.93 | TSHR (0.54) | TSHRHSD17B10CYP2A6LOXL2KCNJ1 | |
| SCHEMBL21652390 | 0.88 | TSHR (0.57) | TSHRHSD17B10CYP2A6LOXL2KCNJ1 | |
| SCHEMBL15046531 | 0.87 | TSHR (0.57) | TSHRHSD17B10CYP2A6LOXL2KCNJ1 | |
| SCHEMBL17281163 | 0.86 | TSHR (0.60) | TSHRHSD17B10CYP2A6LOXL2KCNJ1 | |
| SCHEMBL13617597 | 0.82 | CYP2A6 (0.54) | TSHRHSD17B10CYP2A6LOXL2KCNJ1 | |
| SCHEMBL23543258 | 0.81 | TSHR (0.62) | TSHRHSD17B10CYP2A6LOXL2KCNJ1 | |
| SCHEMBL26601759 | 0.81 | TSHR (0.62) | TSHRHSD17B10CYP2A6LOXL2KCNJ1 | |
| SCHEMBL21096328 | 0.81 | TSHR (0.62) | TSHRHSD17B10CYP2A6LOXL2KCNJ1 | |
| SCHEMBL11338413 | 0.81 | TSHR (0.62) | TSHRHSD17B10CYP2A6LOXL2KCNJ1 | |
| SCHEMBL30829132 | 0.80 | LMNA (0.40) | TSHRHSD17B10CYP2A6LMNALOXL2 |
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-0257048-A1 | OPTICALLY ACTIVE COMPOUNDS. | MERCK PATENT GMBH (DE) | 1988-03-02 | — | — | EP | disclosed |
| WO-1987005018-A2 | OPTICALLY ACTIVE COMPOUNDS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1987-08-27 | — | — | WO | disclosed |