Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | GCGR | P47871 | 3/20 | 0.35 |
| ▸ | GIPR | P48546 | 2/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | GLP1R | P43220 | 1/20 | 0.34 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.32 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.32 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4591412 | 0.92 | GCGR (0.42) | ALDH1A1CYP3A4GCGRGIPRNPBWR1 | |
| SCHEMBL27724115 | 0.91 | CYP3A4 (0.35) | ALDH1A1CYP3A4NPC1PPARGPPARD | |
| SCHEMBL27703384 | 0.89 | UTS2R (0.40) | MCHR1PDK1 | |
| SCHEMBL27703386 | 0.88 | CYP3A4 (0.38) | ALDH1A1CYP3A4MEN1KMT2A | |
| SCHEMBL4592518 | 0.87 | CYP3A4 (0.34) | CYP3A4CACNA1HNR1H4 | |
| SCHEMBL27703387 | 0.86 | RAB9A (0.39) | ALDH1A1CYP3A4EPHX1MEN1NPC1 | |
| SCHEMBL27724006 | 0.84 | PSMB5 (0.35) | ALDH1A1CYP3A4GLP1R | |
| SCHEMBL27703435 | 0.82 | CHRM5 (0.36) | ALDH1A1CYP3A4MEN1KMT2APDK1 | |
| SCHEMBL27723968 | 0.82 | EPHX2 (0.37) | ALDH1A1CYP3A4MEN1KMT2A | |
| SCHEMBL4592219 | 0.81 | MAPT (0.37) | ALDH1A1CYP3A4NPC1NLRP3NR1H4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101189209-A | C5a receptor antagonists | JERINI AG (DE) | 2008-05-28 | — | — | CN | claimed |
| CN-101189209-A | C5a receptor antagonists | JERINI AG (DE) | 2008-05-28 | — | — | CN | disclosed |