Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | TACR2 | P21452 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SHBG | P04278 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL8070988 | 0.76 | — | — | |
| SCHEMBL11856663 | 0.71 | ACHE (0.33) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL9644818 | 0.71 | ACHE (0.33) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL7543348 | 0.71 | HSD17B10 (0.39) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL31196973 | 0.65 | S1PR2 (0.38) | ALDH1A1HIF1ASPHK1TSHRTHRB | |
| Octane SCHEMBL27618242 | 0.63 | — | — | |
| SCHEMBL17008157 | 0.61 | TSHR (0.57) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL23849704 | 0.61 | ESR1 (0.77) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| Decane SCHEMBL23499900 | 0.59 | TSHR (1.00) | ALDH1A1LMNAHSD17B10TSHRTHRB | |
| SCHEMBL11854960 | 0.59 | TSHR (1.00) | ALDH1A1LMNAHSD17B10TSHRTHRB |
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 |
|---|---|---|---|---|---|---|---|
| CN-119143774-A | Selective hydrogenation method for substituted bicyclo [2.2.1] hepta-2, 5-diene | 中国科学院大连化学物理研究所 | 2024-12-17 | — | — | CN | disclosed |