Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.59 |
| ▸ | CA1 | P00915 | 2/20 | 0.59 |
| ▸ | CA2 | P00918 | 2/20 | 0.59 |
| ▸ | CA9 | Q16790 | 2/20 | 0.59 |
| ▸ | ERN1 | O75460 | 4/20 | 0.52 |
| ▸ | ACVR1 | Q04771 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.46 |
| ▸ | BMP4 | P12644 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | COMT | P21964 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27278122 | 0.87 | BMP4 (0.57) | CA12CA1CA2CA9ACVR1 | |
| SCHEMBL12074247 | 0.84 | CA12 (0.65) | CA12CA1CA2CA9ERN1 | |
| SCHEMBL4658401 | 0.83 | CA12 (0.59) | CA12CA1CA2CA9ERN1 | |
| SCHEMBL4073648 | 0.82 | CA12 (0.59) | CA12CA1CA2CA9ERN1 | |
| SCHEMBL6296099 | 0.82 | CA12 (0.59) | CA12CA1CA2CA9ERN1 | |
| SCHEMBL27737402 | 0.82 | CA12 (0.63) | CA12CA1CA2CA9ERN1 | |
| SCHEMBL12386951 | 0.82 | CA12 (0.59) | CA12CA1CA2CA9ERN1 | |
| SCHEMBL9669763 | 0.81 | CA12 (0.58) | CA12CA1CA2CA9ERN1 | |
| SCHEMBL21935175 | 0.81 | CA1 (0.55) | CA12CA1CA2CA9ERN1 | |
| SCHEMBL17334527 | 0.81 | CA12 (0.57) | CA12CA1CA2CA9ERN1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106103417-B | The derivative and preparation method thereof of 1,2- naphthoquinones | KT&G生命科学公司 | 2019-08-06 | — | — | CN | disclosed |
| CN-105164113-B | Pyrroloamide inhibitors | 艾伯维公司 | 2018-03-02 | — | — | CN | disclosed |
| CN-106103417-A | Derivant of 1,2 naphthoquinone and preparation method thereof | KT&G生命科学公司 | 2016-11-09 | — | — | CN | disclosed |
| CN-105992759-A | 1, 2-naphthoquinone derivative and preparation method thereof | KT&G生命科学公司 | 2016-10-05 | — | — | CN | disclosed |
| CN-105164113-A | Pyrroloamide inhibitors | ABBVIE INC | 2015-12-16 | — | — | CN | disclosed |
| CN-101541753-B | 2-aminoquinolines as 5-HT(5A) receptor antagonists | HOFFMANN LA ROCHE | 2012-06-13 | — | — | CN | disclosed |
| CN-101516852-B | Quinoline derivatives with 5-ht-binding properties | HOFFMANN LA ROCHE | 2011-11-16 | — | — | CN | disclosed |
| CN-101541753-A | 2-Aminoquinolines as 5-HT(5A) receptor antagonists | HOFFMANN LA ROCHE (CH) | 2009-09-23 | — | — | CN | disclosed |
| CN-101516852-A | Quinoline derivatives with 5-HT-binding properties | HOFFMANN LA ROCHE (CH) | 2009-08-26 | — | — | CN | disclosed |
| US-6124460-A | Isoquinuclidine derivatives, method of manufacturing the same and therapeutic agents for hypercholesterolemia containing these compounds | KOTOBUKI PHARMACEUTICAL CO. LTD. (JP) | 2000-09-26 | — | — | US | disclosed |