Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CHKA | P35790 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.36 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11937915 | 0.95 | KMT2A (0.44) | HSD11B1KMT2AKDM4ECA2CHKA | |
| SCHEMBL16207687 | 0.93 | KDM4E (0.48) | HSD11B1KMT2AKDM4ECA2CHKA | |
| SCHEMBL11937897 | 0.79 | MEN1 (0.47) | HSD11B1KMT2APOLBMEN1 | |
| SCHEMBL13077840 | 0.79 | MEN1 (0.47) | HSD11B1KMT2APOLBMEN1 | |
| SCHEMBL14473297 | 0.79 | KDM4E (0.51) | HSD11B1KMT2AKDM4ECYP1A2EPHX2 | |
| SCHEMBL11930102 | 0.78 | CYP1A2 (0.42) | HSD11B1KMT2ACA2CHKACA12 | |
| SCHEMBL13222588 | 0.77 | CA2 (0.41) | HSD11B1KMT2ACA2CHKACA12 | |
| SCHEMBL12187920 | 0.77 | CA2 (0.41) | HSD11B1KMT2ACA2CHKACA12 | |
| SCHEMBL13817707 | 0.76 | HSD11B1 (0.43) | HSD11B1KMT2ACYP1A2EPHX2PARP1 | |
| SCHEMBL14389589 | 0.76 | L3MBTL3 (0.45) | KMT2AKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2799435-B1 | POLY (ADP-RIBOSE) POLYMERASE INHIBITOR | CHENGDU DIAO PHARMACEUTICAL GROUP CO LTD (CN) | 2018-03-28 | — | — | EP | disclosed |
| CN-103130723-B | Poly (aenosine diphosphate glucose pyrophospheralase (ADP)-ribose) polymerase inhibitor | CHENGDU DIAO PHARMACEUTICAL GROUP CO LTD | 2015-01-14 | — | — | CN | disclosed |
| EP-2799435-A1 | POLY (ADP-RIBOSE) POLYMERASE INHIBITOR | Chengdu Di'ao Pharmaceutical Group Co. Ltd. (CN) | 2014-11-05 | — | — | EP | disclosed |