Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 3/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PRKCA | P17252 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | EDNRB | P24530 | 1/20 | 0.36 |
| ▸ | MYLK | Q15746 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.36 |
| ▸ | HRH2 | P25021 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.35 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8697591 | 0.94 | PTPN1 (0.46) | PTPN1ADORA2BMAPTALDH1A1POLB | |
| SCHEMBL8697633 | 0.92 | POLB (0.37) | PTPN1POLBPRKCAGSK3BEDNRB | |
| SCHEMBL8698594 | 0.91 | PTPN1 (0.39) | PTPN1ADORA2BMAPTALDH1A1POLB | |
| SCHEMBL8702544 | 0.88 | EDNRB (0.38) | PTPN1POLBSMN1; SMN2PRKCAGSK3B | |
| SCHEMBL8697402 | 0.88 | NTRK1 (0.39) | MAPTALDH1A1PRKCAGSK3BMYLK | |
| SCHEMBL8704430 | 0.84 | EDNRB (0.34) | PTPN1ADORA2BMAPTSMN1; SMN2PRKCA | |
| SCHEMBL8696580 | 0.82 | ALDH1A1 (0.46) | MAPTALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL8591475 | 0.80 | PTPN1 (0.42) | PTPN1ADORA2BMAPTALDH1A1POLB | |
| SCHEMBL8697199 | 0.78 | EDNRB (0.39) | PTPN1EDNRB | |
| SCHEMBL8550982 | 0.77 | CTSV (0.44) | PTPN1MAPTALDH1A1 |
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-1998042709-A1 | ENDOTHELIN-RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 1998-10-01 | — | — | WO | disclosed |