Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | QPCT | Q16769 | 2/20 | 0.33 |
| ▸ | QPCTL | Q9NXS2 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9464877 | 0.90 | CYP3A4 (0.41) | TSHRCYP3A4CYP2A6MEN1ALOX15 | |
| Pyridine SCHEMBL28139824 | 0.84 | TSHR (0.60) | TSHRNAPRTTDP1CYP3A4CYP2A6 | |
| SCHEMBL1412677 | 0.79 | NFKB1 (0.47) | CYP3A4CYP2A6QPCTQPCTLNFKB1 | |
| Ammonia Solution, Strong SCHEMBL27340998 | 0.76 | NFKB1 (0.45) | CYP3A4CYP2A6QPCTQPCTLNFKB1 | |
| SCHEMBL27961586 | 0.76 | NFKB1 (0.45) | CYP3A4CYP2A6QPCTQPCTLNFKB1 | |
| Bicarbonate SCHEMBL30411279 | 0.72 | ALDH1A1 (0.48) | TDP1CYP3A4QPCTQPCTLNFKB1 | |
| Biphenyl SCHEMBL27843447 | 0.71 | MEN1 (0.59) | TSHRTDP1CYP3A4MEN1ALOX15 | |
| Pyridine SCHEMBL27779675 | 0.69 | — | — | |
| 1-Methylimidazole SCHEMBL4991962 | 0.68 | QPCT (0.75) | TSHRNAPRTTDP1CYP3A4CYP2A6 | |
| 1-Methylimidazole SCHEMBL11368070 | 0.68 | QPCT (0.75) | TSHRNAPRTTDP1CYP3A4CYP2A6 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107337636-A | The serialization diazo-reaction of pyridine compounds and its application | 凯莱英医药集团（天津）股份有限公司 | 2017-11-10 | — | — | CN | claimed |
| CN-105753839-A | Pesticidal Compositions And Processes Related Thereto | 陶氏益农公司 | 2016-07-13 | — | — | CN | claimed |
| CN-106573893-A | Process for preparing pyrazoles | 巴斯夫欧洲公司 | 2017-04-19 | — | — | CN | disclosed |
| CN-106458985-A | 6-heteroaryloxy-and 6-aryloxy-quinoline-2-carboxamides and their use | 艾伯维公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-103702561-B | Opioid receptor ligands and methods of using and making the same | 特维娜有限公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-105939999-A | Pyrazoles for controlling invertebrate pests | 巴斯夫欧洲公司 | 2016-09-14 | — | — | CN | disclosed |
| CN-105753839-A | Pesticidal Compositions And Processes Related Thereto | 陶氏益农公司 | 2016-07-13 | — | — | CN | disclosed |