Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.48 |
| ▸ | RELA | Q04206 | 2/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TOP1 | P11387 | 2/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | HPGDS | O60760 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9974995 | 0.98 | RAB9A (0.52) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL9975008 | 0.90 | NPC1 (0.45) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL3157659 | 0.85 | RAB9A (0.64) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL28062294 | 0.85 | NPC1 (0.62) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL33833 | 0.85 | NPC1 (0.62) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL9975013 | 0.84 | RAB9A (0.49) | NPC1RAB9ASMN1; SMN2CLK4ADRB2 | |
| SCHEMBL9974962 | 0.84 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2CLK4ADRB2 | |
| Water SCHEMBL9051780 | 0.83 | NPC1 (0.59) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| Ammonia Solution, Strong SCHEMBL22446046 | 0.83 | NPC1 (0.59) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL2764106 | 0.83 | NPC1 (0.59) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 |
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-2012081541-A1 | 1, 2, 4, 5-SUBSTITUTED PHENYL DERIVATIVE, PRODUCTION METHOD FOR SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT | 東ソー株式会社 (JP) | 2012-06-21 | — | — | WO | disclosed |