Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 4/20 | 0.51 |
| ▸ | LTA4H | P09960 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 2/20 | 0.41 |
| ▸ | CASP7 | P55210 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL498678 | 1.00 | DPP4 (0.51) | DPP4LTA4HALDH1A1KDM4EGAA | |
| SCHEMBL12445155 | 0.88 | CYP2A6 (0.45) | DPP4ALDH1A1KDM4EL3MBTL1NPC1 | |
| SCHEMBL19165108 | 0.88 | CYP2A6 (0.45) | DPP4ALDH1A1KDM4EL3MBTL1NPC1 | |
| SCHEMBL723960 | 0.86 | CYP2A6 (0.44) | DPP4LTA4HALDH1A1KDM4EGAA | |
| SCHEMBL498545 | 0.86 | CYP2A6 (0.47) | ALDH1A1KDM4EL3MBTL1LMNAMAPT | |
| Benzene SCHEMBL28459864 | 0.84 | CYP2A6 (0.43) | DPP4LTA4HALDH1A1KDM4EGAA | |
| SCHEMBL13156364 | 0.81 | DPP4 (0.50) | DPP4LTA4HALDH1A1KDM4EGAA | |
| SCHEMBL13125591 | 0.80 | DPP4 (0.46) | DPP4LTA4HALDH1A1KDM4EGAA | |
| SCHEMBL23611278 | 0.79 | DPP4 (0.65) | DPP4LTA4HALDH1A1KDM4EGAA | |
| SCHEMBL2742433 | 0.79 | DPP4 (0.65) | DPP4LTA4HALDH1A1KDM4EGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2423242-B1 | ELECTRICALLY CONDUCTIVE POLYROTAXANE | NAT INST FOR MATERIALS SCIENCE (JP) | 2013-07-10 | — | — | EP | disclosed |
| EP-2423242-A1 | ELECTRICALLY CONDUCTIVE POLYROTAXANE | National Institute for Materials Science (JP) | 2012-02-29 | — | — | EP | disclosed |