Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.47 |
| ▸ | MYC | P01106 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28290216 | 0.88 | MYC (0.49) | MYCCYP3A4CYP2C9ALOX12KMT2A | |
| SCHEMBL2318775 | 0.81 | HPGD (0.45) | KDM4CMYCKMT2AGRM1ALDH1A1 | |
| SCHEMBL9223049 | 0.78 | CYP3A4 (0.60) | KDM4CMYCCYP3A4CYP2C9ALOX12 | |
| SCHEMBL978600 | 0.78 | KDM4C (0.50) | KDM4CMYCCYP3A4CYP2C9ALOX12 | |
| SCHEMBL27624421 | 0.77 | KMT2A (0.42) | CYP3A4ALOX12KMT2AALDH1A1ALOX15 | |
| SCHEMBL27570665 | 0.77 | L3MBTL1 (0.70) | CYP2C9KMT2AALDH1A1ALOX15POLB | |
| SCHEMBL14397779 | 0.77 | KDM4C (0.47) | KDM4CMYCCYP3A4CYP2C9ALOX12 | |
| SCHEMBL8861326 | 0.76 | KMT2A (0.41) | KMT2AGRM1ALDH1A1POLBL3MBTL1 | |
| SCHEMBL27624300 | 0.75 | MAPT (0.39) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL1549765 | 0.74 | KMT2A (0.46) | KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007117180-A1 | AZAHETEROCYCLES, COMBINATORY LIBRARY, FOCUSED LIBRARY, PHARMACEUTICAL COMPOSITION AND METHODS FOR THE PRODUCTION THEREOF | 'CHEMICAL DIVERSITY RESEARCH INSTITUTE' LTD. (RU) | 2007-10-18 | — | — | WO | disclosed |