Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | DRD4 | P21917 | 6/20 | 0.52 |
| ▸ | DRD2 | P14416 | 5/20 | 0.52 |
| ▸ | DRD3 | P35462 | 5/20 | 0.52 |
| ▸ | HTR1B | P28222 | 2/20 | 0.52 |
| ▸ | HTR1D | P28221 | 1/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.45 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.45 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7669651 | 0.87 | DRD4 (0.54) | NPC1RAB9ASMN1; SMN2MAPTDRD4 | |
| SCHEMBL12288186 | 0.81 | HDAC6 (0.59) | NPC1RAB9ASMN1; SMN2MAPTDRD4 | |
| SCHEMBL8720377 | 0.79 | HDAC3 (0.41) | NPC1RAB9ASMN1; SMN2MAPTGAA | |
| SCHEMBL10624845 | 0.79 | MAPT (0.62) | NPC1RAB9ASMN1; SMN2MAPTDRD4 | |
| SCHEMBL6201094 | 0.78 | MAPT (0.52) | SMN1; SMN2MAPTGAAKDM4EMEN1 | |
| SCHEMBL742957 | 0.78 | PTGER4 (0.54) | RAB9ASMN1; SMN2MAPTGAAKDM4E | |
| SCHEMBL29580493 | 0.77 | GBA1 (0.50) | NPC1RAB9ASMN1; SMN2MAPTDRD4 | |
| Hydrochloric Acid SCHEMBL11314258 | 0.76 | PTGER4 (0.53) | RAB9ASMN1; SMN2MAPTGAAKDM4E | |
| SCHEMBL7772573 | 0.76 | CHRM2 (0.55) | NPC1RAB9ASMN1; SMN2MAPTDRD4 | |
| SCHEMBL7745287 | 0.75 | PTGER4 (0.51) | RAB9ASMN1; SMN2MAPTGAAKDM4E |
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-2011023722-A1 | NOVEL QUINOXALINONE HEPCIDIN ANTAGONISTS | VIFOR (INTERNATIONAL) AG (CH) | 2011-03-03 | — | — | WO | disclosed |