Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 2/20 | 0.49 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 7/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 6/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | BPTF | Q12830 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6867921 | 1.00 | EPHX2 (0.49) | EPHX2CXCR3NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6880607 | 0.92 | PKM (0.55) | CXCR3NPC1SMN1; SMN2PKMALOX15 | |
| SCHEMBL6880600 | 0.92 | PKM (0.55) | CXCR3NPC1SMN1; SMN2PKMALOX15 | |
| SCHEMBL6873580 | 0.92 | GSK3B (0.53) | EPHX2CXCR3NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6873572 | 0.92 | GSK3B (0.53) | EPHX2CXCR3NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6876788 | 0.92 | NPC1 (0.47) | EPHX2NPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL6876802 | 0.92 | NPC1 (0.47) | EPHX2NPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL6873409 | 0.91 | EPHX2 (0.43) | EPHX2CXCR3NPC1SMN1; SMN2MCHR1 | |
| SCHEMBL6873414 | 0.91 | EPHX2 (0.43) | EPHX2CXCR3NPC1SMN1; SMN2MCHR1 | |
| SCHEMBL6868638 | 0.89 | EPHX2 (0.54) | EPHX2NPC1RAB9ASMN1; SMN2MCHR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1464335-A2 | Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist | Taisho Pharmaceutical Co. Ltd. (JP) | 2004-10-06 | — | — | EP | disclosed |