Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 3/20 | 0.50 |
| ▸ | GLS | O94925 | 3/20 | 0.48 |
| ▸ | NQO2 | P16083 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | KDM4A | O75164 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.44 |
| ▸ | SYK | P43405 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 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 | |
|---|---|---|---|---|
| SCHEMBL30151702 | 0.94 | GLS (0.52) | BRD4GLSNQO2HDAC1KDM4A | |
| SCHEMBL1111369 | 0.94 | GLS (0.52) | BRD4GLSNQO2HDAC1KDM4A | |
| SCHEMBL2572109 | 0.86 | HDAC1 (0.52) | BRD4GLSNQO2HDAC1KDM4A | |
| SCHEMBL7017291 | 0.86 | GLS (0.46) | BRD4GLSNQO2KDM4ACYP3A4 | |
| SCHEMBL2806074 | 0.84 | CYP1A2 (0.59) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL8279661 | 0.83 | POLB (0.53) | BRD4GLSKDM4ACA12CA1 | |
| SCHEMBL29527022 | 0.82 | GLS (0.51) | BRD4GLSHDAC1KDM4ACA12 | |
| SCHEMBL3346015 | 0.82 | GLS (0.54) | BRD4GLSHDAC1KDM4ACA12 | |
| SCHEMBL352551 | 0.82 | GLS (0.51) | BRD4GLSHDAC1KDM4ACA12 | |
| SCHEMBL7394476 | 0.82 | CYP1A2 (0.46) | GLSNQO2CA12CA1CA7 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1302463-A1 | MEDICINE COMPRISING DICYANOPYRIDINE DERIVATIVE | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 2003-04-16 | — | — | EP | disclosed |