Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.33 |
| ▸ | SELE | P16581 | 1/20 | 0.33 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15352571 | 0.85 | NPSR1 (0.37) | CYP2D6ABCB11ICAM1SELEVCAM1 | |
| SCHEMBL1069262 | 0.80 | MAPT (0.36) | MEN1KMT2ACYP1A2 | |
| SCHEMBL77754 | 0.78 | CA1 (0.39) | MEN1BLMKMT2ATSHRCYP1A2 | |
| SCHEMBL28113389 | 0.77 | CA1 (0.38) | MEN1KMT2ATSHRCYP1A2 | |
| SCHEMBL27330242 | 0.77 | CA1 (0.38) | ADRA1AMEN1KMT2ATSHRCYP1A2 | |
| SCHEMBL27431792 | 0.77 | CA1 (0.38) | MEN1KMT2ATSHRCYP1A2 | |
| SCHEMBL27267545 | 0.75 | CA1 (0.37) | MEN1KMT2ATSHRCYP1A2 | |
| SCHEMBL4885519 | 0.74 | ALDH1A1 (0.38) | MAPK1KMT2AICAM1SELEVCAM1 | |
| SCHEMBL676545 | 0.73 | ALDH1A1 (0.40) | MEN1KMT2A | |
| SCHEMBL15474939 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5731321-A | Endothelin receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-03-24 | — | — | US | disclosed |
| EP-0757039-A1 | Endothelin receptor antagonists | MERCK PATENT GmbH (DE) | 1997-02-05 | — | — | EP | disclosed |