Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | VNN1 | O95497 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | GOT1 | P17174 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | NAMPT | P43490 | 1/20 | 0.31 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.30 |
| ▸ | FEN1 | P39748 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27823343 | 0.98 | CTDSP1 (0.41) | CTDSP1CYP1A2GABRA1GABRG2GABRB3 | |
| SCHEMBL28068540 | 0.81 | CTDSP1 (0.43) | CTDSP1CYP1A2P2RX7VNN1BRD4 | |
| SCHEMBL27861569 | 0.78 | CTDSP1 (0.37) | CTDSP1CYP1A2P2RX7VNN1ALOX5AP | |
| SCHEMBL27624857 | 0.77 | — | — | |
| SCHEMBL1362405 | 0.74 | SMN1; SMN2 (0.57) | KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL5728597 | 0.74 | — | — | |
| SCHEMBL3150298 | 0.74 | — | — | |
| SCHEMBL6708489 | 0.73 | CTDSP1 (0.41) | CTDSP1CYP1A2GABRA1GABRG2GABRB3 | |
| Hydrochloric Acid SCHEMBL28179473 | 0.73 | SMN1; SMN2 (0.56) | KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL7310669 | 0.72 | CYP1A2 (0.51) | CTDSP1CYP1A2GABRA1GABRG2GABRB3 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109415345-A | Broad spectrum influenza inhibitor based on pyridazinone | 豪夫迈·罗氏有限公司 | 2019-03-01 | — | — | CN | claimed |
| CN-109923113-A | novel isoxazolyl ether derivatives as GABA A α 5 PAM | 豪夫迈·罗氏有限公司 | 2019-06-21 | — | — | CN | disclosed |
| CN-106456639-B | Prodrugs of HIV Reverse Transcriptase Inhibitors | 默沙东公司 | 2019-05-10 | — | — | CN | disclosed |
| CN-106459027-B | 6-substituted-3H-1, 3-benzothiazol-2-one compounds as TARP-gamma 8 dependent AMPA receptor antagonists | 伊莱利利公司 | 2019-04-02 | — | — | CN | disclosed |
| CN-109415345-A | Broad spectrum influenza inhibitor based on pyridazinone | 豪夫迈·罗氏有限公司 | 2019-03-01 | — | — | CN | disclosed |
| CN-109153651-A | amido-substituted cyclohexane derivatives | 拜耳制药股份公司 | 2019-01-04 | — | — | CN | disclosed |
| CN-105073751-B | The substituted imidazoles new as Casein kinase 1 δ/epsilon inhibitor | 百时美施贵宝公司 | 2018-11-30 | — | — | CN | disclosed |
| CN-106470990-A | pyridazine compounds | 武田药品工业株式会社 | 2017-03-01 | — | — | CN | disclosed |
| CN-106459027-A | 6-substituted-3H-1, 3-benzothiazol-2-one compounds as TARP-gamma 8 dependent AMPA receptor antagonists | 伊莱利利公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-106456639-A | Prodrugs of hiv reverse transcriptase inhibitors | 默沙东公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-104039762-B | Nampt inhibitor | ABBVIE INC. (US) | 2016-11-30 | — | — | CN | disclosed |
| CN-105899512-A | Amide group substituted imidazopyridazines useful in the treatment of hyperproliferative and/or angiogenic diseases | 拜耳医药股份公司 | 2016-08-24 | — | — | CN | disclosed |
| CN-105658640-A | Alkynyl alcohols and methods of use | 豪夫迈·罗氏有限公司 | 2016-06-08 | — | — | CN | disclosed |
| CN-105392484-A | Combination of imidazopyridazine derivatives with mitotic agents for the treatment of cancer | Bayer Pharma AG | 2016-03-09 | — | — | CN | disclosed |
| CN-103118680-B | Heteroaryl carboxamides | HOFFMAN-LA ROCHE LTD. (CH) | 2015-12-16 | — | — | CN | disclosed |
| CN-104768554-A | Triazolo compounds | HOFFMANN LA ROCHE | 2015-07-08 | — | — | CN | disclosed |