Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ACACB | O00763 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | TACR2 | P21452 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SHBG | P04278 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9855410 | 0.99 | HSD17B10 (0.46) | HSD17B10TSHRACACBESR1ADRA2A | |
| SCHEMBL9855167 | 0.96 | ACACB (0.41) | HSD17B10TSHRACACBALDH1A1MCHR1 | |
| SCHEMBL9855313 | 0.91 | HSD17B10 (0.50) | HSD17B10TSHRACACBESR1ADRA2A | |
| SCHEMBL9855079 | 0.90 | FFAR1 (0.40) | ACACBALDH1A1MCHR1FFAR1RAB9A | |
| SCHEMBL9855817 | 0.90 | HSD17B10 (0.53) | HSD17B10TSHRACACBESR1ADRA2A | |
| SCHEMBL10517953 | 0.87 | NPC1 (0.38) | HSD17B10TSHRACACBESR1ADRA2A | |
| SCHEMBL9855956 | 0.86 | ACACB (0.45) | HSD17B10TSHRACACBESR1ADRA2A | |
| SCHEMBL9855249 | 0.84 | HSD17B10 (0.44) | HSD17B10TSHRACACBESR1ADRA2A | |
| SCHEMBL9854914 | 0.84 | HSD17B10 (0.44) | HSD17B10TSHRACACBESR1ADRA2A | |
| SCHEMBL9855636 | 0.83 | CYP2A6 (0.40) | ACACBMCHR1FFAR1 |
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-5068053-A | Liquid crystals for optical apparatus | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-11-26 | — | — | US | disclosed |