Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.45 |
| ▸ | RELA | Q04206 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | KMO | O15229 | 1/20 | 0.40 |
| ▸ | GP6 | Q9HCN6 | 1/20 | 0.40 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | TOP1 | P11387 | 2/20 | 0.38 |
| ▸ | GRM5 | P41594 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.37 |
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 | 0.92 | RAB9A (0.52) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL9974965 | 0.90 | NPC1 (0.48) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL9697154 | 0.84 | CLK4 (0.53) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL18327459 | 0.83 | MEN1 (0.47) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL17720980 | 0.83 | MEN1 (0.47) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL19075008 | 0.83 | MEN1 (0.47) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL9974914 | 0.82 | TGFBR1 (0.46) | NPC1RAB9ASMN1; SMN2CYP2A6TOP1 | |
| SCHEMBL3157659 | 0.82 | RAB9A (0.64) | NPC1NFKB1RAB9ANFKB2RELA | |
| SCHEMBL9974955 | 0.81 | NOTUM (0.60) | PIK3CAIMPDH2 | |
| SCHEMBL18327356 | 0.81 | MEN1 (0.48) | NPC1NFKB1RAB9ANFKB2RELA |
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 |