Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.41 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17174128 | 0.91 | PARP1 (0.54) | PARP1NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL17174129 | 0.86 | SRC (0.46) | PARP1NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL17174208 | 0.83 | EGLN1 (0.44) | PARP1NPC1RAB9AKDM4ERELA | |
| SCHEMBL2347376 | 0.78 | NPC1 (0.62) | PARP1NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL17174143 | 0.77 | SRC (0.43) | PARP1 | |
| SCHEMBL17174134 | 0.77 | SRC (0.45) | PARP1 | |
| Hydrochloric Acid SCHEMBL30398025 | 0.77 | NPC1 (0.61) | PARP1NPC1RAB9AALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL30289774 | 0.75 | NPC1 (0.59) | PARP1NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL17174132 | 0.74 | NPC1 (0.58) | PARP1NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL3219196 | 0.73 | SRC (0.60) | PARP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9748593-B2 | Polymer electrolyte composition, and polymer electrolyte membrane, membrane electrode complex and solid polymer-type fuel cell each produced using same | TORAY INDUSTRIES, INC. (JP) | 2017-08-29 | — | — | US | disclosed |
| US-20150295262-A1 | POLYMER ELECTROLYTE COMPOSITION, AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE ELECTRODE COMPLEX AND SOLID POLYMER-TYPE FUEL CELL EACH PRODUCED USING SAME | TORAY INDUSTRIES, INC. (JP) | 2015-10-15 | — | — | US | disclosed |