Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | STAT3 | P40763 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20716046 | 0.92 | ALDH1A1 (0.55) | GRM5ALDH1A1NPC1TSHRCASP1 | |
| SCHEMBL16927161 | 0.87 | GRM5 (0.54) | GRM5ALDH1A1NPC1TSHRCASP1 | |
| SCHEMBL7678431 | 0.84 | ESR1 (0.58) | GRM5ALDH1A1MEN1KMT2ACA9 | |
| SCHEMBL2625350 | 0.83 | GRM5 (0.48) | GRM5ALDH1A1NPC1TSHRCASP1 | |
| SCHEMBL84247 | 0.81 | MEN1 (0.58) | ALDH1A1NPC1TSHRCASP1RAB9A | |
| SCHEMBL10000450 | 0.81 | MAPK1 (0.53) | GRM5ALDH1A1MEN1KMT2ACA9 | |
| SCHEMBL2471106 | 0.80 | ESR1 (0.63) | GRM5MEN1KMT2ACA9CA12 | |
| SCHEMBL13900322 | 0.80 | CA9 (0.55) | GRM5ALDH1A1NPC1TSHRCASP1 | |
| SCHEMBL10000443 | 0.79 | MEN1 (0.56) | ALDH1A1NPC1TSHRCASP1RAB9A | |
| SCHEMBL14438540 | 0.79 | MEN1 (0.48) | GRM5MEN1KMT2ACA9CA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-7582722-B1 | Phenylethynylbenzophenone-endcapped hyperbranched poly(arylene-ether-ketone-imides) | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) | 2009-09-01 | — | — | US | disclosed |