Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | TACR2 | P21452 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | SHBG | P04278 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL17818519 | 1.00 | HSD17B10 (0.56) | HSD17B10TSHRESR1ADRA2AADORA3 | |
| SCHEMBL25698390 | 1.00 | HSD17B10 (0.56) | HSD17B10TSHRESR1ADRA2AADORA3 | |
| SCHEMBL28826019 | 0.98 | HSD17B10 (0.53) | HSD17B10TSHRESR1ADRA2AADORA3 | |
| SCHEMBL10334702 | 0.93 | HSD17B10 (0.46) | HSD17B10TSHRALDH1A1HPGD | |
| SCHEMBL20289391 | 0.90 | AR (0.54) | HSD17B10TSHRALDH1A1KDM4EHPGD | |
| SCHEMBL11306918 | 0.87 | HSD17B10 (0.67) | HSD17B10TSHRESR1ADRA2AADORA3 | |
| SCHEMBL18923563 | 0.86 | HSD17B10 (0.53) | HSD17B10TSHRESR1ADRA2AADORA3 | |
| SCHEMBL19254696 | 0.86 | HSD17B10 (0.53) | HSD17B10TSHRESR1ADRA2AADORA3 | |
| SCHEMBL24267634 | 0.85 | HSD17B10 (0.51) | HSD17B10TSHRESR1ADRA2AADORA3 | |
| SCHEMBL10343234 | 0.85 | KAT8 (0.55) | HSD17B10TSHRESR1ADRA2AADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005105820-A2 | MACROCYCLIC CADMIUM COMPLEXES | UNIVERSITY OF EAST ANGLIA (GB) | 2005-11-10 | — | — | WO | disclosed |