Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRA | P25101 | 1/20 | 0.41 |
| ▸ | GUSB | P08236 | 3/20 | 0.40 |
| ▸ | SPR | P35270 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.36 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.36 |
| ▸ | ITGAL | P20701 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MC4R | P32245 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | MET | P08581 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL6584620 | 0.88 | EDNRA (0.43) | EDNRAGUSBSPRMEN1KMT2A | |
| SCHEMBL6584112 | 0.77 | EDNRA (0.43) | EDNRA | |
| SCHEMBL6586639 | 0.75 | EDNRA (0.40) | EDNRAGUSBMEN1KMT2AMAPT | |
| SCHEMBL8445476 | 0.69 | GUSB (0.37) | EDNRAGUSBSPRMEN1KMT2A | |
| SCHEMBL27836164 | 0.69 | GUSB (0.49) | GUSBSPRGAACYP2A6 | |
| SCHEMBL6584222 | 0.68 | EDNRA (0.39) | EDNRAGUSBMEN1KMT2AMAPT | |
| SCHEMBL7676135 | 0.66 | EDNRA (0.46) | EDNRA | |
| SCHEMBL14158708 | 0.63 | CYP2A6 (0.55) | GUSBCYP2A6 | |
| SCHEMBL7047429 | 0.62 | MEN1 (0.59) | MEN1KMT2AMAPTKDM4EPOLB | |
| SCHEMBL22156313 | 0.62 | GUSB (0.52) | GUSBCYP2A6 |
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-0901470-B1 | INDOLE DERIVATIVES USEFUL AS ENDOTHELIN RECEPTOR ANTAGONISTS | PFIZER (US) | 2004-03-31 | — | — | EP | disclosed |