Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 13/20 | 0.64 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL15587208 | 0.89 | CA1 (0.54) | PDK2CA1CA2CA4CA7 | |
| SCHEMBL18832681 | 0.82 | PDK2 (0.62) | PDK2CA1CA2CA4CA7 | |
| SCHEMBL30899336 | 0.80 | PDK2 (0.56) | PDK2CA1CA2CA7CA9 | |
| SCHEMBL4325901 | 0.80 | PDK2 (0.56) | PDK2CA1CA2CA7CA9 | |
| SCHEMBL30004202 | 0.79 | PDK2 (0.58) | PDK2ELANEL3MBTL1TDP1CASP3 | |
| SCHEMBL7619444 | 0.79 | PDK2 (0.58) | PDK2ELANEL3MBTL1TDP1CASP3 | |
| SCHEMBL19013527 | 0.79 | PDK2 (0.58) | PDK2ELANEL3MBTL1TDP1CASP3 | |
| SCHEMBL18880905 | 0.79 | PDK2 (0.58) | PDK2ELANEL3MBTL1TDP1CASP3 | |
| SCHEMBL7314066 | 0.78 | PDK2 (0.57) | PDK2CA1CA2CA4CA7 | |
| SCHEMBL12459971 | 0.78 | PDK2 (1.00) | PDK2 |
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-2013156129-A1 | POLYMERS CONTAINING SUBSTITUTED OLIGO-TRIARYLAMINE UNITS AND ELECTROLUMINESCENCE DEVICES CONTAINING SUCH POLYMERS | MERCK PATENT GMBH (DE) | 2013-10-24 | — | — | WO | disclosed |