Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP3 | P08254 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | AR | P10275 | 3/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 2/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2939911 | 0.87 | MMP3 (0.47) | MMP3CA12CA2CA9CA3 | |
| SCHEMBL19435502 | 0.80 | SLC22A12 (0.51) | MMP3CA2CA1XDHSLC22A12 | |
| SCHEMBL3509636 | 0.78 | MMP3 (0.59) | MMP3CA12CA2CA9CA3 | |
| SCHEMBL6925026 | 0.77 | ALDH1A1 (0.58) | MMP3CA12CA2CA9CA3 | |
| SCHEMBL995234 | 0.76 | MMP3 (0.46) | MMP3CA12CA2CA9CA3 | |
| SCHEMBL1029429 | 0.75 | CYP11B1 (0.51) | MMP3CA12CA2CA9CA3 | |
| SCHEMBL11617077 | 0.75 | TSHR (0.62) | MMP3CA12CA2CA9CA3 | |
| SCHEMBL14555704 | 0.74 | AR (0.47) | MMP3CA12CA2CA9CA3 | |
| SCHEMBL8936342 | 0.74 | ESR1 (0.53) | MMP3CA12CA2CA9CA3 | |
| SCHEMBL13513173 | 0.73 | TSHR (0.52) | MMP3CA12CA2CA9CA3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103193674-B | Many cyano group diamine monomer and preparation and application thereof | JILIN UNIVERSITY (CN) | 2015-08-26 | — | — | CN | disclosed |
| CN-103193674-A | Multi-cyandiamine monomer and preparation and application thereof | UNIV JILIN | 2013-07-10 | — | — | CN | disclosed |