Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.73 |
| ▸ | TSHR | P16473 | 1/20 | 0.73 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.59 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.50 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.44 |
| ▸ | TACR2 | P21452 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | SHBG | P04278 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10567320 | 0.98 | HSD17B10 (0.77) | HSD17B10TSHRCYP2A6LOXL2KCNJ1 | |
| SCHEMBL885099 | 0.94 | CYP2A6 (0.67) | HSD17B10TSHRCYP2A6LOXL2KCNJ1 | |
| SCHEMBL2997975 | 0.92 | HSD17B10 (0.86) | HSD17B10TSHRCYP2A6LOXL2KCNJ1 | |
| SCHEMBL10568033 | 0.92 | HSD17B10 (0.79) | HSD17B10TSHRCYP2A6LOXL2KCNJ1 | |
| SCHEMBL10567414 | 0.92 | HSD17B10 (0.86) | HSD17B10TSHRCYP2A6LOXL2KCNJ1 | |
| SCHEMBL2984821 | 0.90 | HSD17B10 (0.89) | HSD17B10TSHRCYP2A6LOXL2CYP19A1 | |
| SCHEMBL15186454 | 0.90 | HSD17B10 (0.89) | HSD17B10TSHRCYP2A6LOXL2CYP19A1 | |
| SCHEMBL6033056 | 0.90 | HSD17B10 (0.89) | HSD17B10TSHRCYP2A6LOXL2CYP19A1 | |
| SCHEMBL22265340 | 0.90 | HSD17B10 (0.89) | HSD17B10TSHRCYP2A6LOXL2CYP19A1 | |
| SCHEMBL10569452 | 0.90 | HSD17B10 (0.83) | HSD17B10TSHRCYP2A6LOXL2KCNJ1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4834905-A | LIQUID CRYSTAL DIELECTRICS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1989-05-30 | — | — | US | disclosed |
| US-4627933-A | ESTERS, ETHERS, NITRICES, HALIDES, OR HYDROCARBONS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1986-12-09 | — | — | US | disclosed |
| EP-0104327-A2 | Use of cyclic derivatives as components of liquid cristals | MERCK PATENT GmbH (DE) | 1984-04-04 | — | — | EP | disclosed |