Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.46 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.43 |
| ▸ | TACR2 | P21452 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SHBG | P04278 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18554681 | 0.98 | PTGS2 (0.55) | PTGS2CYP3A4GABRA1GABRB2GPR84 | |
| SCHEMBL4659133 | 0.95 | NPC1 (0.48) | PTGS2CYP3A4GABRA1GABRB2GPR84 | |
| SCHEMBL16182674 | 0.87 | GABRA1 (0.50) | PTGS2CYP3A4GABRA1GABRB2NPC1 | |
| SCHEMBL25343238 | 0.85 | PTGS2 (0.49) | PTGS2CYP3A4GPR84ESR1ADRA2A | |
| SCHEMBL1160403 | 0.83 | PTGS2 (0.63) | PTGS2CYP3A4GPR84ESR1ADRA2A | |
| SCHEMBL9194816 | 0.82 | GABRA1 (0.40) | PTGS2CYP3A4GABRA1GABRB2NPC1 | |
| SCHEMBL25348417 | 0.81 | ALOX5 (0.47) | PTGS2CYP3A4GPR84 | |
| SCHEMBL11801101 | 0.81 | PTGS2 (0.61) | PTGS2CYP3A4GPR84ESR1ADRA2A | |
| SCHEMBL201605 | 0.81 | PTGS2 (0.64) | PTGS2CYP3A4ESR1ADRA2AADORA3 | |
| SCHEMBL1021179 | 0.81 | PTGS2 (0.61) | PTGS2CYP3A4GPR84ESR1ADRA2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109836525-B | Method for improving hydrogenation efficiency of styrene/conjugated diene copolymer catalyzed by nickel/aluminum catalyst system | 中国石油化工股份有限公司 | 2022-03-11 | — | — | CN | claimed |
| CN-115232229-A | Process for hydrogenating polymers | 中国石油化工股份有限公司 | 2022-10-25 | — | — | CN | disclosed |
| CN-109836525-B | Method for improving hydrogenation efficiency of styrene/conjugated diene copolymer catalyzed by nickel/aluminum catalyst system | 中国石油化工股份有限公司 | 2022-03-11 | — | — | CN | disclosed |
| CN-109836525-B | Method for improving hydrogenation efficiency of styrene/conjugated diene copolymer catalyzed by nickel/aluminum catalyst system | 中国石油化工股份有限公司 | 2022-03-11 | — | — | CN | disclosed |