Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CTSA | P10619 | 9/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | ALB | P02768 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4757721 | 0.99 | S1PR3 (0.42) | S1PR3HPGDCTSANOTUMTTR | |
| SCHEMBL4757922 | 0.85 | S1PR3 (0.38) | S1PR3HPGDCTSANOTUMTTR | |
| SCHEMBL13985250 | 0.83 | HSD17B10 (0.41) | S1PR3CTSANPC1TSHRRAB9A | |
| SCHEMBL9031273 | 0.71 | NPC1 (0.44) | S1PR3HPGDNOTUMTP53NPC1 | |
| SCHEMBL11125232 | 0.69 | ALDH1A1 (0.40) | SMN1; SMN2 | |
| SCHEMBL8626679 | 0.68 | — | — | |
| SCHEMBL4758257 | 0.65 | RXRA (0.43) | NOTUMTTRALBMAOACNR1 | |
| SCHEMBL2388785 | 0.65 | TP53 (0.44) | HPGDCTSATP53NPC1NFKB1 | |
| SCHEMBL10334912 | 0.65 | KCNA5 (0.46) | CTSACNR1 | |
| SCHEMBL1544916 | 0.63 | NOTUM (0.52) | NOTUMTP53NPC1TSHRNFKB1 |
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-2009000819-A1 | 5-PHENYL-1,3,4-OXADIAZOL-2-YL-ACETYL-4-PIPERIDINYL DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2008-12-31 | — | — | WO | disclosed |