Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.82 |
| ▸ | MAOB | P27338 | 4/20 | 0.52 |
| ▸ | MAOA | P21397 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.45 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | NOS3 | P29474 | 2/20 | 0.43 |
| ▸ | NOS1 | P29475 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Benzonitrile SCHEMBL11740588 | 0.94 | TSHR (0.93) | TSHRMAOBMAOAALDH1A1CYP2A6 | |
| Benzonitrile SCHEMBL11737166 | 0.94 | TSHR (0.93) | TSHRMAOBMAOAALDH1A1CYP2A6 | |
| Benzonitrile SCHEMBL27895262 | 0.91 | TSHR (0.88) | TSHRMAOBMAOAALDH1A1CYP2A6 | |
| Benzonitrile SCHEMBL2154015 | 0.91 | TSHR (0.88) | TSHRMAOBMAOAALDH1A1CYP2A6 | |
| Benzonitrile SCHEMBL6640 | 0.91 | — | — | |
| Benzonitrile SCHEMBL11044747 | 0.91 | — | — | |
| Benzonitrile SCHEMBL9464940 | 0.91 | TSHR (1.00) | TSHRMAOBMAOAALDH1A1CYP2A6 | |
| Benzonitrile SCHEMBL30929383 | 0.91 | TSHR (1.00) | TSHRMAOBMAOAALDH1A1CYP2A6 | |
| Benzonitrile SCHEMBL27793280 | 0.91 | TSHR (1.00) | TSHRMAOBMAOAALDH1A1CYP2A6 | |
| Benzonitrile SCHEMBL21752925 | 0.91 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116899585-A | Co-based catalyst for nitrile hydrogenation and preparation method and application thereof | 中海油天津化工研究设计院有限公司 | 2023-10-20 | — | — | CN | disclosed |
| CN-217699096-U | O-methoxy cyanophenyl synthesizer | 濮阳市远东化工有限公司 | 2022-11-01 | — | — | CN | disclosed |
| CN-217699096-U | O-methoxy cyanophenyl synthesizer | 濮阳市远东化工有限公司 | 2022-11-01 | — | — | CN | disclosed |
| CN-107043454-B | Epoxy group-amine additives, resin combination, cementing agent, the carbon fiber and fiber reinforced composite material for being coated with cementing agent | 株式会社大赛璐 | 2019-08-20 | — | — | CN | disclosed |
| CN-107709401-A | Solidification compound and formed body | 株式会社大赛璐 | 2018-02-16 | — | — | CN | disclosed |
| CN-107709400-A | Solidification compound | 株式会社大赛璐 | 2018-02-16 | — | — | CN | disclosed |
| CN-104995255-B | Colored curable composition and use thereof | 富士胶片株式会社 | 2017-11-14 | — | — | CN | disclosed |
| CN-107148676-A | Solar cell module and its manufacture method | 材料概念有限公司 | 2017-09-08 | — | — | CN | disclosed |
| CN-107043454-A | Epoxy radicals amine additives, resin combination, cementing agent, the carbon fiber and fiber reinforced composite material for being coated with cementing agent | 株式会社大赛璐 | 2017-08-15 | — | — | CN | disclosed |
| CN-104284916-B | Epoxy-amine adduct, resin composition, sizing agent, carbon fiber coated with sizing agent, and fiber-reinforced composite material | 株式会社大赛璐 | 2016-12-14 | — | — | CN | disclosed |
| CN-104321385-B | Hardening resin composition and solidfied material, sealant and optical semiconductor device | 株式会社大赛璐 | 2016-08-24 | — | — | CN | disclosed |