Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.49 |
| ▸ | RAB9A | P51151 | 6/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | GLA | P06280 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | HPGDS | O60760 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL18078699 | 0.90 | SMN1; SMN2 (0.51) | NPC1RAB9ASMN1; SMN2TP53MAPT | |
| SCHEMBL30596386 | 0.86 | KDM4E (0.61) | NPC1RAB9ASMN1; SMN2TP53MAPT | |
| SCHEMBL36011 | 0.86 | KDM4E (0.61) | NPC1RAB9ASMN1; SMN2TP53MAPT | |
| SCHEMBL5013752 | 0.84 | KDM4E (0.59) | NPC1RAB9ASMN1; SMN2TP53MAPT | |
| SCHEMBL10408880 | 0.84 | KDM4E (0.52) | NPC1RAB9ASMN1; SMN2MAPTKDM4E | |
| SCHEMBL29778652 | 0.84 | KDM4E (0.59) | NPC1RAB9ASMN1; SMN2TP53MAPT | |
| SCHEMBL3829194 | 0.84 | KDM4E (0.59) | NPC1RAB9ASMN1; SMN2TP53MAPT | |
| Hydrochloric Acid SCHEMBL12004262 | 0.84 | KDM4E (0.59) | NPC1RAB9ASMN1; SMN2TP53MAPT | |
| SCHEMBL12727899 | 0.84 | KDM4E (0.52) | NPC1RAB9ASMN1; SMN2MAPTKDM4E | |
| SCHEMBL30021698 | 0.84 | KDM4E (0.59) | NPC1RAB9ASMN1; SMN2TP53MAPT |
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-2016143823-A1 | COMPOUND, AND ORGANIC SEMICONDUCTOR MATERIAL CONTAINING SAME | 国立大学法人大阪大学 | 2016-09-15 | — | — | WO | disclosed |